SCHEMBL3421066

SCHEMBL3421066

CCCCCN=C1C(=NCCCCC)c2cccc3cccc1c23

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.45
CYP1B1 Q16678 1/20 0.41
ALDH1A1 P00352 5/20 0.40
TSHR P16473 2/20 0.40
MAPK1 P28482 2/20 0.40
HSD17B10 Q99714 2/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
KDM4E B2RXH2 1/20 0.39
MCL1 Q07820 6/20 0.38
HPGD P15428 2/20 0.38
CASP1 P29466 2/20 0.38
MPI P34949 1/20 0.38
CACNA1B Q00975 1/20 0.38
APBA1 Q02410 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CES2 O00748 1/20 0.38
BCHE P06276 1/20 0.38
CES1 P23141 1/20 0.38
BCL2 P10415 4/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18095059 1.00 TDP1 (0.45) TDP1CYP1B1ALDH1A1TSHRMAPK1
SCHEMBL1023271 0.73 TDP1 (0.47) TDP1CYP1B1ALDH1A1TSHRMAPK1
Pyrene SCHEMBL28193182 0.73 ALDH1A1 (0.61) TDP1CYP1B1ALDH1A1TSHRHSD17B10
Pyrene SCHEMBL8821795 0.71 ALDH1A1 (0.58) TDP1CYP1B1ALDH1A1TSHRMAPK1
Pyrene SCHEMBL28128984 0.71 ALDH1A1 (0.58) TDP1CYP1B1ALDH1A1TSHRMAPK1
SCHEMBL16601690 0.70 ALDH1A1 (0.47) TDP1ALDH1A1MAPK1HSD17B10ATM
SCHEMBL87415 0.69 ELANE (0.44) TDP1CYP1B1ALDH1A1TSHRMAPK1
Hexane SCHEMBL27665073 0.69 ALDH1A1 (0.50) TDP1CYP1B1ALDH1A1TSHRMAPK1
SCHEMBL4562954 0.68 C3AR1 (0.53) ALDH1A1TSHRMAPK1L3MBTL1KDM4E
SCHEMBL4562956 0.68 C3AR1 (0.53) ALDH1A1TSHRMAPK1L3MBTL1KDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US claimed
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION 2021-02-18 US claimed
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-12-08 US claimed
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 US claimed
EP-2246376-B1 Method for preparing particles with a conjugated polymer shell LEIBNIZ INST POLYMERFORSCHUNG (DE) 2014-03-05 EP claimed
EP-2246376-A1 Method for preparing particles with a conjugated polymer shell Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2010-11-03 EP claimed
US-11833494-B2 Catalysts and methods for forming alkenyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-12-05 US disclosed
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2023-10-03 US disclosed
US-11772083-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2023-10-03 US disclosed
US-20230173476-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2023-06-08 US disclosed
US-20210283587-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA PATENT FOUNDATION 2021-09-16 US disclosed
US-10967364-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2021-04-06 US disclosed
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION 2021-02-18 US disclosed
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2020-12-08 US disclosed
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2019-07-11 US disclosed
US-20180065116-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA 2018-03-08 US disclosed
WO-2016154416-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES UNIVERSITY OF VIRGINIA PATENT FOUNDATION (US) 2016-09-29 WO disclosed
EP-2246376-B1 Method for preparing particles with a conjugated polymer shell LEIBNIZ INST POLYMERFORSCHUNG (DE) 2014-03-05 EP disclosed
EP-2246376-A1 Method for preparing particles with a conjugated polymer shell Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2010-11-03 EP disclosed
EP-2246376-A1 Method for preparing particles with a conjugated polymer shell Leibniz-Institut für Polymerforschung Dresden e.V. (DE) 2010-11-03 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (10 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10858334-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C TDP1 1835/4885CYP1B1 517/4885ALDH1A1 613/4885
US-11773074-B2 Method for aerobic oxidative coupling of thiophenes with a ligand-supported palladium catalyst PPOX, TST, COX6C TDP1 1835/4885CYP1B1 517/4885ALDH1A1 613/4885
US-20190210993-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C TDP1 1835/4885CYP1B1 517/4885ALDH1A1 613/4885
US-10967364-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes ALKBH3, SOD1, GARS1 TDP1 1175/4885CYP1B1 1971/4885ALDH1A1 682/4885
US-20210283587-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES ALKBH3, SOD1, GARS1 TDP1 1175/4885CYP1B1 1971/4885ALDH1A1 682/4885
US-11833494-B2 Catalysts and methods for forming alkenyl substituted arenes SOD1, ALKBH3, HACL2 TDP1 1205/4885CYP1B1 2145/4885ALDH1A1 818/4885
US-11772083-B2 Catalysts and methods for forming alkenyl and alkyl substituted arenes ALKBH3, SOD1, GARS1 TDP1 1175/4885CYP1B1 1971/4885ALDH1A1 682/4885
US-20230173476-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL SUBSTITUTED ARENES SOD1, ALKBH3, HACL2 TDP1 1205/4885CYP1B1 2145/4885ALDH1A1 818/4885
US-20180065116-A1 CATALYSTS AND METHODS FOR FORMING ALKENYL AND ALKYL SUBSTITUTED ARENES ALKBH3, SOD1, GARS1 TDP1 1175/4885CYP1B1 1971/4885ALDH1A1 682/4885
US-20210047285-A1 Method for Aerobic Oxidative Coupling of Thiophenes with a Ligand-Supported Palladium Catalyst PPOX, TST, COX6C TDP1 1835/4885CYP1B1 517/4885ALDH1A1 613/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.