SCHEMBL10211331

SCHEMBL10211331

CCc1ccc2[nH]c(C(C)(C)C)cc2c1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2A6 P11509 1/20 0.41
SYK P43405 2/20 0.40
MAPT P10636 4/20 0.39
ALDH1A1 P00352 1/20 0.39
KIF11 P52732 1/20 0.39
DAO P14920 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.37
CFTR P13569 1/20 0.37
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL4568038 0.86 DAO (0.53) KDM4ECYP1A2CYP2A6SYKMAPT
SCHEMBL21214072 0.84 GAA (0.42) KDM4ECYP2A6SYKMAPTALDH1A1
SCHEMBL16382897 0.84 SYK (0.53) KDM4ESYKMAPTALDH1A1MEN1
SCHEMBL8999779 0.79 MAPT (0.57) KDM4ECYP2A6MAPTALDH1A1MEN1
SCHEMBL14706509 0.76 SYK (0.39) CYP2A6SYKMAPTALDH1A1KIF11
SCHEMBL23153302 0.76 CYP1A1 (0.39) KDM4ESYKMAPTALDH1A1DAO
SCHEMBL1102337 0.76 LOXL2 (0.50) KDM4ECYP1A2CYP2A6MAPTALDH1A1
SCHEMBL31276626 0.76 KIF11 (0.46) CYP2A6SYKALDH1A1KIF11CFTR
SCHEMBL3434958 0.76 KIF11 (0.46) CYP2A6SYKALDH1A1KIF11CFTR
SCHEMBL13923569 0.76 LOXL2 (0.50) KDM4ECYP1A2MAPTALDH1A1DAO

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2024-07-11 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2023-09-21 US disclosed
US-20230293429-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS RECODE THERAPEUTICS, INC. 2023-09-21 US disclosed
US-10472391-B2 Methods and compositions using ADAM10 inhibitors to treat bacterial infections THE UNIVERSITY OF CHICAGO (US) 2019-11-12 US disclosed
EP-2888251-B1 PERFORIN INHIBITING BENZENESULFONAMIDE COMPOUNDS, PREPARATION AND USES THEREOF PETER MACCALLUM CANCER INST (AU) 2019-04-24 EP disclosed
US-20170143852-A1 LIBRARY OF PH RESPONSIVE POLYMERS AND NANOPROBES THEREOF THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM 2017-05-25 US disclosed
US-9624211-B2 Anti-cancer compounds BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-18 US disclosed
US-8952049-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-02-10 US disclosed
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS ENANTA PHARMACEUTICALS, INC. 2011-06-16 US disclosed
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-24 US disclosed
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-03-10 US disclosed
US-20100292466-A1 Efficient Synthesis Of Galanthamine BOARD OF REGENTS THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM 2010-11-18 US disclosed
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-05-06 US disclosed
US-20100048887-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE REATA PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-20100048892-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 REATA PHARMACEUTICALS, INC. 2010-02-25 US disclosed
US-7645789-B2 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-01-12 US disclosed
US-20090131492-A1 Indole derivatives as CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED 2009-05-21 US 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 (14 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-20100292466-A1 Efficient Synthesis Of Galanthamine GALR2, GALR1, OPRK1 KDM4E 628/4885CYP1A2 140/4885CYP2A6 270/4885
US-20100292489-A1 Cross-conjugated 2,5-cyclohexadienone and related synthesis methods OPRK1, GALR2, OPRM1 KDM4E 1151/4885CYP1A2 21/4885CYP2A6 61/4885
US-20110071206-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4235/4885CYP1A2 2202/4885CYP2A6 1094/4885
US-10472391-B2 Methods and compositions using ADAM10 inhibitors to treat bacterial infections ADAM10, ADAM17, ADAM9 KDM4E 2633/4885CYP1A2 4139/4885CYP2A6 3806/4885
US-20240228504-A1 SUBSTITUTED TRICYCLIC AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME SLC10A1, NR1H4, SLC10A2 KDM4E 1496/4885CYP1A2 398/4885CYP2A6 251/4885
US-20230295115-A1 SUBSTITUTED ISOQUINOLINYLMETHYL AMIDES, ANALOGUES THEREOF, AND METHODS USING SAME HCCS, HAVCR2, HDGF KDM4E 692/4885CYP1A2 1906/4885CYP2A6 903/4885
US-20170143852-A1 LIBRARY OF PH RESPONSIVE POLYMERS AND NANOPROBES THEREOF MSN, CD44, CD47 KDM4E 3295/4885CYP1A2 4855/4885CYP2A6 4149/4885
US-20090131492-A1 Indole derivatives as CFTR modulators CFTR, ABCB1, ABCB11 KDM4E 3861/4885CYP1A2 1231/4885CYP2A6 1353/4885
US-20110142798-A1 HEPATITIS C VIRUS INHIBITORS HAVCR2, SLC10A1, EIF2AK2 KDM4E 1193/4885CYP1A2 205/4885CYP2A6 283/4885
US-20100048887-A1 COMPOUNDS INCLUDING AN ANTI-INFLAMMATORY PHARMACORE AND METHODS OF USE PTGES, PTGS1, PTGES2 KDM4E 2975/4885CYP1A2 67/4885CYP2A6 152/4885
US-20100048892-A1 ANTIOXIDANT INFLAMMATION MODULATORS: OLEANOLIC ACID DERIVATIVES WITH AMINO AND OTHER MODIFICATIONS AT C-17 IL17A, ALOX15, ALOX12 KDM4E 2822/4885CYP1A2 547/4885CYP2A6 934/4885
US-20230293429-A1 COMPOSITIONS AND METHODS FOR TARGETED DELIVERY TO CELLS CHMP4B, LIPA, NPC1L1 KDM4E 4859/4885CYP1A2 4715/4885CYP2A6 4111/4885
US-20100113555-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4235/4885CYP1A2 2202/4885CYP2A6 1094/4885
US-20110060024-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 KDM4E 4235/4885CYP1A2 2202/4885CYP2A6 1094/4885

“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.