SCHEMBL9911552

SCHEMBL9911552

CC(C)C(=O)Cc1ccccc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLQ O75417 1/20 0.56
ALDH1A1 P00352 3/20 0.47
MAOB P27338 2/20 0.47
MAOA P21397 1/20 0.47
RBP4 P02753 1/20 0.46
OPRK1 P41145 1/20 0.45
PPARG P37231 2/20 0.45
SLC6A2 P23975 2/20 0.45
SLC6A4 P31645 2/20 0.45
EPHX2 P34913 1/20 0.45
IDO1 P14902 2/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GAA P10253 1/20 0.44
ATM Q13315 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
POLB P06746 1/20 0.44
MAPK1 P28482 1/20 0.44

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
SCHEMBL21576141 0.83 POLQ (0.47) POLQALDH1A1MAOBMAOAPPARG
SCHEMBL19286778 0.82 PPARG (0.44) POLQALDH1A1PPARGEPHX2HDAC1
SCHEMBL31173765 0.81 POLQ (0.59) POLQALDH1A1MAOBMAOARBP4
SCHEMBL265536 0.81 POLQ (0.59) POLQALDH1A1MAOBMAOARBP4
SCHEMBL6864363 0.81 POLQ (0.58) POLQALDH1A1MAOBMAOARBP4
SCHEMBL21100044 0.80 CYP1A2 (0.52) ALDH1A1KDM4EGAATDP1
Methyl Alcohol SCHEMBL8011354 0.80 POLQ (0.62) POLQALDH1A1MAOBMAOAOPRK1
SCHEMBL187791 0.79 POLQ (0.61) POLQALDH1A1MAOBMAOARBP4
SCHEMBL29718585 0.79 POLQ (0.61) POLQALDH1A1MAOBMAOARBP4
SCHEMBL6971669 0.79 POLQ (0.57) POLQALDH1A1MAOBMAOARBP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20230348369-A1 NAMPT MODULATORS CYTOKINETICS, INC. 2023-11-02 US disclosed
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY 2021-09-30 US disclosed
WO-2020023355-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE BRISTOL-MYERS SQUIBB COMPANY (US) 2020-01-30 WO disclosed
US-9758492-B2 IDO inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2017-09-12 US disclosed
US-9745280-B2 Compound or pharmaceutically acceptable salt thereof, and pharmaceutical composition containing same as active ingredient SNU R&DB FOUNDATION (KR) 2017-08-29 US disclosed
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT SNU R&DB FOUNDATION (KR) 2016-11-24 US disclosed
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-10-06 US disclosed
US-20160200674-A1 IDO INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2016-07-14 US disclosed
US-9333202-B2 Non-retinoid antagonists for treatment of age-related macular degeneration and stargardt disease THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2016-05-10 US disclosed
US-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2015-05-07 US disclosed
US-8198458-B2 Non-nucleoside reverse transcriptase inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-12 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-7517998-B2 Benzothiazole or benzothiazine derivative of dipyrido(2,3;b:2',3'-e) diazepin-6-one; viricide against human t-cell leukemia/lymphoma virus BOEHRINGER INGELHEIM INTERNATIONAL GMBH 2009-04-14 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 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 (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-20150126494-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT POLQ 3559/4885ALDH1A1 857/4885MAOB 1661/4885
US-20210299126-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND METHODS OF THEIR USE IDO1, IDO2, INMT POLQ 3042/4885ALDH1A1 373/4885MAOB 11/4885
US-20230348369-A1 NAMPT MODULATORS NAMPT, NNT, NAPRT POLQ 4011/4885ALDH1A1 982/4885MAOB 735/4885
US-20160287607-A1 NON-RETINOID ANTAGONISTS FOR TREATMENT OF AGE-RELATED MACULAR DEGENERATION AND STARGARDT DISEASE RBP4, RBP1, LRAT POLQ 3559/4885ALDH1A1 857/4885MAOB 1661/4885
US-20160200674-A1 IDO INHIBITORS IDO1, IDO2, INMT POLQ 2519/4885ALDH1A1 996/4885MAOB 60/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 POLQ 3087/4885ALDH1A1 3634/4885MAOB 4131/4885
US-20160340331-A1 NOVEL COMPOUND OR PHARMACEUTICALLY ACCEPTABLE SALT THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING SAME AS ACTIVE INGREDIENT HSP90AB1, HSP90AA1, HSP90AB2P POLQ 4252/4885ALDH1A1 963/4885MAOB 4850/4885

“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.