SCHEMBL9670965

SCHEMBL9670965

Cc1cccc2cc(C=O)ccc12

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.57
CYP2A6 P11509 10/20 0.48
ALDH1A1 P00352 7/20 0.48
HPGD P15428 2/20 0.43
HSD17B10 Q99714 2/20 0.43
KIF11 P52732 2/20 0.41
TSHR P16473 3/20 0.39
CYP3A4 P08684 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A3 P47895 2/20 0.39

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
SCHEMBL29953349 1.00 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL3257311 0.85 CYP2A6 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29957704 0.85 CYP2A6 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL16289909 0.81 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL6362144 0.80 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL29951294 0.80 CYP1A2 (0.57) CYP1A2CYP2A6ALDH1A1HPGDHSD17B10
SCHEMBL1666511 0.78 KIF11 (0.42) CYP2A6ALDH1A1HSD17B10KIF11TDP1
SCHEMBL28131156 0.78 KIF11 (0.42) CYP2A6ALDH1A1HSD17B10KIF11TSHR
SCHEMBL7720322 0.78 CYP2A6 (0.50) CYP1A2CYP2A6ALDH1A1HPGDKIF11
SCHEMBL5406345 0.77 ALDH1A1 (0.50) CYP1A2CYP2A6ALDH1A1HSD17B10KIF11

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101827589-A Hepatitis c antiviral compositions and methods BIOTROM LTD 2010-09-08 CN claimed
US-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS VANDERBILT UNIVERSITY 2023-10-19 US disclosed
CN-101827589-B The compositions of anti-hepatitis c virus and method 拜伊特朗有限公司 2016-08-17 CN disclosed
CN-103274970-B Antiviral compounds and methods BIOTRON LTD 2015-02-25 CN disclosed
CN-101208297-B Antiviral compounds and methods BIOTRON LTD 2013-04-24 CN disclosed
CN-101827589-A Hepatitis c antiviral compositions and methods BIOTROM LTD 2010-09-08 CN disclosed
US-7300910-B2 Lubricating oil composition INFINEUM INTERNATIONAL LIMITED (GB) 2007-11-27 US disclosed
US-5155113-A Administering 5-fluorouracil and derivatives with pyridine and pyridone derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-10-13 US disclosed
EP-0180188-B1 A COMPOSITION FOR INCREASING THE ANTI-CANCER ACTIVITY OF AN ANTI-CANCER COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-04-15 EP disclosed
EP-0180188-A2 A composition for increasing the anti-cancer activity of an anti-cancer compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-05-07 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 (1 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-20230330099-A1 SUBSTITUTED INDOLE MCL-1 INHIBITORS MCL1, BCL2L1, BCL9 CYP1A2 4125/4885CYP2A6 4620/4885ALDH1A1 2556/4885

“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.