SCHEMBL806448

SCHEMBL806448

Cc1cc(F)c2ccccc2c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.61
CYP2A6 P11509 5/20 0.61
HPRT1 P00492 1/20 0.47
TDP1 Q9NUW8 2/20 0.44
ALDH1A1 P00352 5/20 0.41
HSD17B10 Q99714 3/20 0.41
HIF1A Q16665 1/20 0.41
CYP1B1 Q16678 1/20 0.41
HPGD P15428 1/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ACHE P22303 1/20 0.37
TSHR P16473 2/20 0.37
TRPM4 Q8TD43 1/20 0.37
MAOA P21397 1/20 0.36
GRM2 Q14416 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
Ammonia Solution, Strong SCHEMBL27937810 0.98 CYP1A2 (0.59) CYP1A2CYP2A6HPRT1TDP1ALDH1A1
SCHEMBL29094043 0.79 CYP2A6 (0.48) CYP1A2CYP2A6HPRT1TDP1ALDH1A1
SCHEMBL30366289 0.78 HPRT1 (0.52) CYP1A2CYP2A6HPRT1TDP1ALDH1A1
SCHEMBL3368401 0.78 HPRT1 (0.52) CYP1A2CYP2A6HPRT1TDP1ALDH1A1
SCHEMBL12227987 0.77 CYP1A2 (0.52) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL598829 0.76 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL7949503 0.76 CYP2A6 (0.67) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL29352143 0.76 CYP1A2 (1.00) CYP1A2CYP2A6TDP1ALDH1A1HSD17B10
SCHEMBL20961707 0.76 NFE2L2 (0.39) CYP1A2CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL14525500 0.76 NFE2L2 (0.39) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303538-A1 GALECTIN-3 INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2023-09-28 US disclosed
US-20230121151-A1 PHOTOELECTRIC CONVERSION ELEMENT, IMAGING ELEMENT, OPTICAL SENSOR, AND COMPOUND FUJIFILM CORPORATION (JP) 2023-04-20 US disclosed
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2022-03-15 US disclosed
US-11251376-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-15 US disclosed
US-11133473-B2 Condensed cyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2021-09-28 US disclosed
WO-2021113698-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION (US) 2021-06-10 WO disclosed
EP-2841429-B1 TETRAZOLINONE COMPOUNDS AND ITS USE AS PESTICIDES SUMITOMO CHEMICAL CO (JP) 2020-10-21 EP disclosed
EP-3406597-B1 CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2019-10-30 EP disclosed
EP-3242872-B1 (PIPERIDIN-3-YL)(NAPHTHALEN-2-YL)METHANONE DERIVATIVES AND RELATED COMPOUNDS AS INHIBITORS OF THE HISTONE DEMETHYLASE KDM2B FOR THE TREATMENT OF CANCER GENENTECH INC (US) 2019-07-03 EP disclosed
US-20190131535-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-02 US disclosed
US-5624935-A ANTIDIABETIC AGENTS, HYPOGLYCEMIC AGENTS OR ANTILIPEMIC AGENTS SANKYO COMPANY, LIMITED 1997-04-29 US disclosed
EP-0745600-A1 Benzimidazole derivatives, their preparation and their therapeutic use SANKYO COMPANY LIMITED (JP) 1996-12-04 EP disclosed
US-4207241-A ANALGESICS, ANTIPYRETICS, ANTIINFLAMMATORY AGENTS AND ANTIPRURITIC AGENTS SYNTEX CORPORATION (US) 1980-06-10 US disclosed
US-4097674-A ANTIINFLAMMATORY, ANTIPYRETIC, ANTIPRURITIC AGENTS, ANALGESICS SYNTEX CORPORATION (US) 1978-06-27 US disclosed
US-4051233-A ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (US) 1977-09-27 US disclosed
US-4001301-A ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIPYRETICS, ANTI-PRURITIC SYNTEX CORPORATION (PM) 1977-01-04 US disclosed
US-3998966-A Anti-inflammatory, analgesic, anti-pyretic and anti-pruritic 6-substituted 2-naphthyl acetic acid derivative-containing compositions and methods of use thereof SYNTEX CORPORATION (PM) 1976-12-21 US disclosed
US-3980699-A ANTIINFLAMMATORY, ANALGESICS, ANTIPYRETIC, ANTIPRURITIC SYNTEX CORPORATION (PM) 1976-09-14 US disclosed
US-3978124-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 US disclosed
US-3978116-A ANALGESIC, ANTIPYRETIC SYNTEX CORPORATION (PM) 1976-08-31 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 (5 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-11133473-B2 Condensed cyclic compound and organic light-emitting device including the same C1S, C1R, CCNA1 CYP1A2 985/4885CYP2A6 1803/4885HPRT1 1156/4885
US-11273168-B2 Methods of treating anxiety by administering a substituted quinolone CRH, MC2R, HTR3C CYP1A2 572/4885CYP2A6 1430/4885HPRT1 654/4885
US-11251376-B2 Heterocyclic compound and organic light-emitting device including the same LAGE3, DDT, AOC2 CYP1A2 30/4885CYP2A6 897/4885HPRT1 81/4885
US-20190131535-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, DDT, AOC2 CYP1A2 30/4885CYP2A6 897/4885HPRT1 81/4885
US-20230303538-A1 GALECTIN-3 INHIBITORS LGALS3, LGALS1, LGALS3BP CYP1A2 3882/4885CYP2A6 4126/4885HPRT1 1786/4885

“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.