SCHEMBL5249792

SCHEMBL5249792

Cc1cc(F)cc2ccccc12

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 7/20 0.64
CYP2A6 P11509 4/20 0.64
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
BACE1 P56817 1/20 0.41
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
AR P10275 1/20 0.40
CCR1 P32246 1/20 0.39
CCR8 P51685 1/20 0.39
KMT2A Q03164 1/20 0.39
HPRT1 P00492 1/20 0.39
ACHE P22303 1/20 0.39
TRPM4 Q8TD43 1/20 0.38

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
SCHEMBL20967457 0.78 CYP1A2 (0.42) CYP1A2CYP2A6ALDH1A1BACE1KDM4E
SCHEMBL29352143 0.78 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL598829 0.78 CYP1A2 (1.00) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL15352228 0.77 CYP1A2 (0.63) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL1402233 0.76 CYP1A2 (0.64) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL20967458 0.76 CYP1A2 (0.46) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
Ammonia Solution, Strong SCHEMBL27919233 0.76 CYP1A2 (0.95) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL599191 0.75 CYP1A2 (0.62) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL30366289 0.75 HPRT1 (0.52) CYP1A2CYP2A6ALDH1A1HSD17B10HPGD
SCHEMBL3368401 0.75 HPRT1 (0.52) 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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023205719-A1 KRAS G12D MODULATING COMPOUNDS GILEAD SCIENCES, INC. (US) 2023-10-26 WO disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
US-20230303586-A1 INHIBITORS OF KRAS G12C ARAXES PHARMA LLC (US) 2023-09-28 US disclosed
EP-4209492-A1 COMPOUND FOR TREATING THROMBOTIC DISEASES Shanghai Institute of Materia Medica, Chinese Academy of Sciences (CN) 2023-07-12 EP disclosed
US-11566016-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-01-31 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-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF NORTHWESTERN UNIVERSITY 2022-01-13 US disclosed
US-11149020-B2 MAP kinase modulators and uses thereof THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-10-19 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
EP-3842424-A1 MAP KINASE MODULATORS AND USES THEREOF IN THE TRETAMENT OF TAUOPATHIES The Trustees of Columbia University in the City of New York (US) 2021-06-30 EP disclosed
WO-2002057264-A1 PYRROLE DERIVATES FOR TREATING CYTOKINE MEDIATED DISEASES SANKYO COMPANY LIMITED (JP) 2002-07-25 WO disclosed
EP-1070711-A2 Heteroaryl-substituted pyrrole derivatives, their preparation and their therapeutic uses Sankyo Company Limited (JP) 2001-01-24 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 (6 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 1803/4885ALDH1A1 1601/4885
US-11251376-B2 Heterocyclic compound and organic light-emitting device including the same LAGE3, DDT, AOC2 CYP1A2 30/4885CYP2A6 897/4885ALDH1A1 57/4885
US-11566016-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 CYP1A2 4173/4885CYP2A6 4660/4885ALDH1A1 2033/4885
US-11149020-B2 MAP kinase modulators and uses thereof MAPK1, MAP3K1, MAP3K2 CYP1A2 4173/4885CYP2A6 4660/4885ALDH1A1 2033/4885
US-20230303586-A1 INHIBITORS OF KRAS G12C KRAS, NRAS, HRAS CYP1A2 3408/4885CYP2A6 3163/4885ALDH1A1 4178/4885
US-20220009905-A1 MAP KINASE MODULATORS AND USES THEREOF MAPK1, MAP3K1, MAP3K2 CYP1A2 4173/4885CYP2A6 4660/4885ALDH1A1 2033/4885

“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.