SCHEMBL1361264

SCHEMBL1361264

C=CCC(CC=C)(CC=C)C(=O)OCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.44
CYP4A11 Q02928 2/20 0.44
ALDH1A1 P00352 3/20 0.39
PKM P14618 3/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
SOAT1 P35610 1/20 0.36
HTT P42858 1/20 0.35
MAPK1 P28482 1/20 0.35
HCAR2 Q8TDS4 1/20 0.34
PIN1 Q13526 1/20 0.34

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
SCHEMBL16150101 0.92 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL10023943 0.92 CYP4F2 (0.50) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL23132525 0.87 CYP4F2 (0.42) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL6910898 0.87 CYP4F2 (0.39) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL10136665 0.85 CYP4F2 (0.38) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL15070911 0.84 CYP4F2 (0.47) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL12963166 0.84 CYP4F2 (0.37) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL283884 0.83 MEN1 (0.46) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL5819364 0.83 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1PKMKDM4E
SCHEMBL17206359 0.83 ALDH1A1 (0.39) CYP4F2CYP4A11ALDH1A1PKMKDM4E

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-20230399471-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SURFACE TREATMENT AGENT AGC Inc. (JP) 2023-12-14 US disclosed
US-20230399471-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND AND METHOD FOR PRODUCING SURFACE TREATMENT AGENT AGC Inc. (JP) 2023-12-14 US disclosed
US-20230399293-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND AND FLUORINE-CONTAINING COMPOUND AGC Inc. (JP) 2023-12-14 US disclosed
US-20230399293-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND AND FLUORINE-CONTAINING COMPOUND AGC Inc. (JP) 2023-12-14 US disclosed
US-20230220236-A1 COMPOSITION, SUBSTRATE WITH SURFACE LAYER, METHOD FOR PRODUCING SUBSTRATE WITH SURFACE LAYER, COMPOUNDS, AND METHODS FOR PRODUCING COMPOUNDS AGC Inc. (JP) 2023-07-13 US disclosed
US-20230220236-A1 COMPOSITION, SUBSTRATE WITH SURFACE LAYER, METHOD FOR PRODUCING SUBSTRATE WITH SURFACE LAYER, COMPOUNDS, AND METHODS FOR PRODUCING COMPOUNDS AGC Inc. (JP) 2023-07-13 US disclosed
US-20230120739-A1 FLUORINE-CONTAINING ETHER COMPOUND AND METHOD OF MANUFACTURING THE SAME, COMPOUND AND METHOD OF MANUFACTURING THE SAME, FLUORINE-CONTAINING ETHER COMPOSITION, COATING LIQUID, AND ARTICLE AND METHOD OF MANUFACTURING THE SAME AGC Inc. (JP) 2023-04-20 US disclosed
US-20230024292-A1 FLUORINE-CONTAINING ETHER COMPOUND AND PRODUCTION METHOD THEREFOR, COMPOUND AND PRODUCTION METHOD THEREFOR, FLUORINE-CONTAINING ETHER COMPOSITION, COATING LIQUID, AND ARTICLE AND PRODUCTION METHOD THEREFOR AGC Inc. (JP) 2023-01-26 US disclosed
WO-2022186271-A1 METHOD FOR PRODUCING FLUORINE COMPOUND AND METHOD FOR PRODUCING SURFACE TREATMENT AGENT AGC株式会社 2022-09-09 WO disclosed
US-20220213345-A1 FLUORINE-CONTAINING ETHER COMPOUND, SURFACE TREATMENT AGENT, FLUORINE-CONTAINING ETHER COMPOSITION, COATING LIQUID, ARTICLE, AND COMPOUND AGC Inc. (JP) 2022-07-07 US disclosed
US-20220204444-A1 METHOD OF MANUFACTURING FLUORINE-CONTAINING COMPOUND AGC Inc. (JP) 2022-06-30 US disclosed
WO-2021161905-A1 FLUOROETHER COMPOUND, FLUOROETHER COMPOSITION, COATING FLUID, ARTICLE, AND METHOD FOR PRODUCING ARTICLE AGC株式会社 2021-08-19 WO disclosed
WO-2021060537-A1 FLUORINE-CONTAINING COMPOUND, FLUORINE-CONTAINING COMPOUND-CONTAINING COMPOSITION, COATING SOLUTION, ARTICLE, AND METHOD FOR PRODUCING ARTICLE AGC株式会社 2021-04-01 WO disclosed
WO-2021054414-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUNDS AGC株式会社 2021-03-25 WO disclosed
WO-2021054413-A1 FLUORINE-CONTAINING ETHER COMPOUND, SURFACE TREATMENT AGENT, FLUORINE-CONTAINING ETHER COMPOSITION, COATING LIQUID, ARTICLE, AND COMPOUND AGC株式会社 2021-03-25 WO disclosed
US-8066914-B2 7-ethynyl-2,4,9-trithiaadamantane and related methods UNIVERSITY OF AKRON (US) 2011-11-29 US disclosed
US-20100072425-A1 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2010-03-25 US disclosed
US-7501529-B2 7-Ethynyl-2,4,9-trithiaadamantane and related methods THE UNIVERSITY OF AKRON (US) 2009-03-10 US disclosed
US-20080177094-A1 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods AKRON, THE UNIVERSITY OF 2008-07-24 US disclosed
WO-2005003089-A2 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS THE UNIVERSITY OF AKRON (US) 2005-01-13 WO 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 (7 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-20230120739-A1 FLUORINE-CONTAINING ETHER COMPOUND AND METHOD OF MANUFACTURING THE SAME, COMPOUND AND METHOD OF MANUFACTURING THE SAME, FLUORINE-CONTAINING ETHER COMPOSITION, COATING LIQUID, AND ARTICLE AND METHOD OF MANUFACTURING THE SAME AFF1, CHRM1, CHRM2 CYP4F2 80/4885CYP4A11 397/4885ALDH1A1 1041/4885
US-20220213345-A1 FLUORINE-CONTAINING ETHER COMPOUND, SURFACE TREATMENT AGENT, FLUORINE-CONTAINING ETHER COMPOSITION, COATING LIQUID, ARTICLE, AND COMPOUND AFF2, AFF1, AFF4 CYP4F2 117/4885CYP4A11 2139/4885ALDH1A1 2634/4885
US-20080177094-A1 7-Ethynyl-2,4,9-Trithiaadamantane and Related Methods ALKBH2, TET1, AOX1 CYP4F2 1358/4885CYP4A11 319/4885ALDH1A1 8/4885
US-20100072425-A1 7-ETHYNYL-2,4,9-TRITHIAADAMANTANE AND RELATED METHODS ALKBH2, AOX1, TET1 CYP4F2 1386/4885CYP4A11 332/4885ALDH1A1 12/4885
US-20220204444-A1 METHOD OF MANUFACTURING FLUORINE-CONTAINING COMPOUND AFF2, AFF4, AFF1 CYP4F2 23/4885CYP4A11 940/4885ALDH1A1 1100/4885
US-20230399293-A1 METHOD FOR PRODUCING FLUORINE-CONTAINING COMPOUND AND FLUORINE-CONTAINING COMPOUND AFF1, AFF4, AFF2 CYP4F2 383/4885CYP4A11 1083/4885ALDH1A1 1429/4885
US-20230220236-A1 COMPOSITION, SUBSTRATE WITH SURFACE LAYER, METHOD FOR PRODUCING SUBSTRATE WITH SURFACE LAYER, COMPOUNDS, AND METHODS FOR PRODUCING COMPOUNDS ZRANB2, ITGB1, ITGB2 CYP4F2 1551/4885CYP4A11 3149/4885ALDH1A1 1997/4885

“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.