SCHEMBL235612

SCHEMBL235612

COc1cc(Br)cc(C=O)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.48
CYP2A6 P11509 1/20 0.48
CYP1A1 P04798 3/20 0.46
CYP1B1 Q16678 3/20 0.46
XDH P47989 3/20 0.42
ERN1 O75460 2/20 0.42
EGFR P00533 2/20 0.40
ESR1 P03372 2/20 0.39
NQO2 P16083 2/20 0.39
CYP1A2 P05177 2/20 0.39
TSHR P16473 1/20 0.39
ABL1 P00519 1/20 0.39
TTR P02766 1/20 0.39
ABCB1 P08183 1/20 0.39
ALOX5 P09917 1/20 0.39
BCR P11274 1/20 0.39
CYP19A1 P11511 1/20 0.39
PTGS2 P35354 1/20 0.39
TUBB4A P04350 1/20 0.39
TUBB P07437 1/20 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
SCHEMBL30374532 1.00 ALDH1A1 (0.48) ALDH1A1CYP2A6CYP1A1CYP1B1XDH
Acetonitrile SCHEMBL27797402 0.91 ALDH1A1 (0.41) ALDH1A1CYP2A6CYP1A1CYP1B1XDH
SCHEMBL14733189 0.85 ALDH1A1 (0.42) ALDH1A1CYP2A6CYP1A1CYP1B1XDH
SCHEMBL228003 0.84 CYP1A1 (0.64) ALDH1A1CYP2A6CYP1A1CYP1B1EGFR
SCHEMBL1663786 0.84 ALDH1A1 (0.58) ALDH1A1CYP2A6CYP1A1CYP1B1ERN1
Water SCHEMBL28227114 0.82 CYP1A1 (0.61) ALDH1A1CYP2A6CYP1A1CYP1B1EGFR
SCHEMBL5377698 0.80 MAOA (0.39) ALDH1A1CYP2A6ERN1CYP1A2NPC1
SCHEMBL3639311 0.79 NPC1 (0.66) ALDH1A1CYP2A6NPC1RAB9ATDP1
SCHEMBL16957393 0.79 CYP1A1 (0.46) ALDH1A1CYP1A1CYP1B1XDHEGFR
SCHEMBL16951993 0.79 CYP1A1 (0.46) ALDH1A1CYP1A1CYP1B1XDHEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4565562-B1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES NXERA PHARMA UK LTD (GB) 2026-05-27 EP disclosed
US-20260132132-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2026-05-14 US disclosed
US-20260042745-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES NXERA PHARMA UK LIMITED (GB) 2026-02-12 US disclosed
US-12534450-B2 Methods and compositions for targeting PD-L1 ALIGOS THERAPEUTICS, INC. (US) 2026-01-27 US disclosed
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof BEONE MEDICINES I GMBH (CH) 2025-10-28 US disclosed
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2025-09-11 US disclosed
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND CHENGDU HYPERWAY PHARMACEUTICALS CO., LTD. (CN) 2025-06-26 US disclosed
EP-4565562-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES Nxera Pharma UK Limited (GB) 2025-06-11 EP disclosed
CN-120077042-A 3A,4,5, 6-tetrahydro-1H-pyrazolo [3,4-C ] pyridin-7 (7 AH) -one derivatives as factor XIIa inhibitors 卡尔维斯塔制药有限公司 2025-05-30 CN disclosed
CN-119790036-A Pyrrolidine-2-carboxamide derivatives as prostaglandin E2 receptor 4 (EP 4) agonists for the treatment of gastrointestinal and pulmonary diseases 奈克斯拉制药英国有限公司 2025-04-08 CN disclosed
CN-1764649-A Benzyl-pyridazinones as reverse transcriptase inhibitors ROCHE PALO ALTO LLC (CH) 2006-04-26 CN disclosed
EP-1612204-A1 HYDRAZONE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-01-04 EP disclosed
EP-1608629-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2005-12-28 EP disclosed
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-07-14 US disclosed
US-6906203-B1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CYTOVIA, INC. (US) 2005-06-14 US disclosed
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors ROCHE PALO ALTO LLC 2004-10-07 US disclosed
WO-2004085406-A1 BENZYL-PYRIDAZINONS AS REVERSE TRANSCRIPTASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2004-10-07 WO disclosed
EP-1230232-B1 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA INC (US) 2004-02-25 EP disclosed
EP-1230232-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF Cytovia, Inc. (US) 2002-08-14 EP disclosed
WO-2001034591-A2 SUBSTITUTED 4H-CHROMENE AND ANALOGS AS ACTIVATORS OF CASPASES AND INDUCERS OF APOPTOSIS AND THE USE THEREOF CYTOVIA, INC. (US) 2001-05-17 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 (8 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-20260132132-A1 3A,4,5,6-TETRAHYDRO-1 H-PYRAZOLO[3,4-C]PYRIDIN-7(7AH)-ONE DERIVATIVES AS FACTOR XIIA INHIBITORS F11, F13B, F7 ALDH1A1 2202/4885CYP2A6 190/4885CYP1A1 142/4885
US-20050154015-A1 Substituted 4H-chromene and analogs as activators of caspases and inducers of apoptosis and the use thereof CASP4, CASP3, CASP5 ALDH1A1 2306/4885CYP2A6 456/4885CYP1A1 106/4885
US-20260042745-A1 PYRROLIDINE-2-CARBOXAMIDE DERIVATIVES AS PROSTAGLANDIN E2 RECEPTOR 4 (EP4) AGONISTS FOR THE TREATMENT OF GASTROINTESTINAL AND PULMONARY DISEASES PTGER4, PTGER1, PTGER2 ALDH1A1 1803/4885CYP2A6 256/4885CYP1A1 679/4885
US-12454534-B2 Pyrrolo[2,3-b]pyrazines as HPK1 inhibitor and the use thereof PDXK, STK25, STK35 ALDH1A1 3320/4885CYP2A6 3429/4885CYP1A1 2649/4885
US-12534450-B2 Methods and compositions for targeting PD-L1 CD274, PDCD1LG2, PDCD1 ALDH1A1 608/4885CYP2A6 3192/4885CYP1A1 1215/4885
US-20250282785-A1 PYRROLIDINONE DERIVATIVES AS INHIBITORS OF NF KAPPA B INDUCING KINASE NFKBIA, IKBKG, IKBKB ALDH1A1 4167/4885CYP2A6 4555/4885CYP1A1 4169/4885
US-20250206759-A1 FUSED RING COMPOUND, PHARMACEUTICAL COMPOSITION CONTAINING SAME, AND USE OF FUSED RING COMPOUND KRAS, NRAS, HRAS ALDH1A1 3098/4885CYP2A6 372/4885CYP1A1 384/4885
US-20040198736-A1 Non-nucleoside reverse transcriptase inhibitors POLR1A, POLR2A, POLR2E ALDH1A1 321/4885CYP2A6 508/4885CYP1A1 126/4885

“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.