SCHEMBL763201

SCHEMBL763201

CCc1ccc2[nH]ccc2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 3/20 0.50
CYP2A6 P11509 3/20 0.50
NR4A2 P43354 2/20 0.50
F7 P08709 1/20 0.50
LTA4H P09960 1/20 0.50
F3 P13726 1/20 0.50
USP2 O75604 1/20 0.50
GAA P10253 1/20 0.50
ALOX15 P16050 1/20 0.50
RAD51 Q06609 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
CYP17A1 P05093 1/20 0.47
CYP11B1 P15538 1/20 0.47
CYP11B2 P19099 1/20 0.47
CYP1A2 P05177 2/20 0.47
IMPDH2 P12268 1/20 0.46
IMPDH1 P20839 1/20 0.46
NPC1 O15118 1/20 0.46
HDAC1 Q13547 1/20 0.45
HDAC8 Q9BY41 1/20 0.45

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
SCHEMBL29445647 1.00 AHR (0.50) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL31504065 0.85 NPC1 (0.62) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL3795198 0.84 HDAC1 (0.50) AHRCYP2A6NR4A2F7LTA4H
Ethoxycarbonyl Group SCHEMBL28038686 0.84 CYP2A6 (0.45) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL31271 0.83 AHR (0.50) AHRCYP2A6CYP1A2MAOADAO
SCHEMBL8666600 0.83 HDAC1 (0.55) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL3800769 0.81 HDAC1 (0.55) AHRCYP2A6NR4A2F7LTA4H
SCHEMBL10269696 0.81 NPC1 (0.62) CYP17A1CYP11B1CYP11B2NPC1
Quinoline SCHEMBL27725634 0.81 ALDH1A1 (0.46) AHRCYP2A6CYP17A1CYP11B1CYP11B2
SCHEMBL3537476 0.80 USP2 (0.47) AHRCYP2A6NR4A2F7LTA4H

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111807978-B Preparation method of Robecoxib 武汉川泰科技有限公司 2023-03-14 CN claimed
CN-111747981-A Transition metal compound and preparation method and application thereof 万华化学集团股份有限公司 2020-10-09 CN claimed
US-20250263760-A1 MODIFIED BACTERIA FOR PRODUCTION OF NITROAROMATICS UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2025-08-21 US disclosed
CN-116082215-B Method for synthesizing indole-3-formaldehyde compound through micro-channels 华东理工大学 2025-05-27 CN disclosed
WO-2025099444-A1 N-Acetylserotonin (NAS) Analogues Beckley Psytech Limited (GB) 2025-05-15 WO disclosed
CN-119899150-A Synthetic method and application of 3-trifluoromethyl quinoline compound 遵义医科大学 2025-04-29 CN disclosed
CN-119822910-A Method for catalyzing heterogeneous reduction of nitrogen-containing heterocyclic compound by using magnesium metal 延安大学 2025-04-15 CN disclosed
CN-119080627-A Synthesis method of roxburgh Bei Kao shake 江苏慧聚药业股份有限公司 2024-12-06 CN disclosed
EP-4447954-A1 HETEROCYCLIC COMPOUNDS AS 5HT2A BIASED AGONISTS Icahn School of Medicine at Mount Sinai (US) 2024-10-23 EP disclosed
WO-2024130411-A1 PROTEASE INHIBITORS AND METHODS OF USING SAME VARIATIONAL AI INC. (CA) 2024-06-27 WO disclosed
US-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS C4 THERAPEUTICS, INC. (US) 2023-11-23 US disclosed
WO-2003093246-A1 IONIC LIQUIDS BAYER MATERIALSCIENCE AG (DE) 2003-11-13 WO disclosed
US-20030204041-A1 Ionic liquids BAYER AKTIENGESELLSHAFT (DE) 2003-10-30 US disclosed
EP-1327632-A1 METHOD FOR PRODUCING TRIMER OF INDOLE DERIVATIVE, AND TRIMER OF INDOLE DERIVATIVE AND LAMINATED STRUCTURE THEREOF Mitsubishi Rayon Co., Ltd. (JP) 2003-07-16 EP disclosed
EP-0749313-A4 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS LILLY CO ELI (US) 2001-10-24 EP disclosed
CN-1148340-A Treatment of 5HTZBMethods of receptor-related disorders LILLY CO ELI (US) 1997-04-23 CN disclosed
EP-0749313-A1 METHOD FOR TREATING 5HT 2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024200-A1 METHOD FOR TREATING 5HT2B RECEPTOR RELATED CONDITIONS ELI LILLY AND COMPANY (US) 1995-09-14 WO disclosed
WO-1994023720-A1 TETRAHYDRO-BETA-CARBOLINES ELI LILLY AND COMPANY (US) 1994-10-27 WO disclosed
EP-0620222-A2 Tetrahydro-beta-carbolines ELI LILLY AND COMPANY (US) 1994-10-19 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-20230372496-A1 TRICYCLIC HETEROBIFUNCTIONAL COMPOUNDS FOR DEGRADATION OF TARGETED PROTEINS CRBN, CDR2, MDM2 AHR 908/4885CYP2A6 2855/4885NR4A2 1299/4885

“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.