SCHEMBL7747338

SCHEMBL7747338

Cc1cnc2cc(C)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.63
CCR1 P32246 2/20 0.58
CCR5 P51681 2/20 0.58
CCR8 P51685 2/20 0.58
ALDH1A1 P00352 4/20 0.55
CYP2A6 P11509 3/20 0.52
NCK1 P16333 1/20 0.50
BACE1 P56817 1/20 0.50
NQO2 P16083 1/20 0.45
TDP1 Q9NUW8 1/20 0.44
KMT2A Q03164 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PDE10A Q9Y233 2/20 0.42
OGA O60502 1/20 0.42

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
SCHEMBL13072274 0.85 CYP1A2 (0.52) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL4572536 0.84 CYP1A2 (0.65) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL12990548 0.83 ALDH1A1 (0.52) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL12991057 0.81 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL8268977 0.81 ALDH1A1 (0.50) CYP1A2ALDH1A1CYP2A6NCK1BACE1
SCHEMBL5534632 0.81 ESR2 (0.59) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL8268419 0.81 ALDH1A1 (0.50) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL16070947 0.81 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL5534628 0.81 CYP1A2 (0.57) CYP1A2CCR1CCR5CCR8ALDH1A1
SCHEMBL12958078 0.81 ALDH1A1 (0.50) CYP1A2CCR1CCR5CCR8ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
US-12043749-B2 Method for producing ink composition SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-07-23 US disclosed
EP-4400505-A1 PEPTIDE-UREA DERIVATIVE, PHARMACEUTICAL COMPOSITION CONTAINING SAME AND APPLICATION THEREOF Bivision Pharmaceuticals, Inc (CN) 2024-07-17 EP disclosed
EP-4398362-A1 POLYMER SOLID ELECTROLYTE AND APPLICATION Nanjing Bochi New Energy Co., Ltd. (CN) 2024-07-10 EP disclosed
WO-2024130689-A1 2-FLUOROBIPHENYL-4-ACETIC ACID DERIVATIVE, PREPARATION METHOD THEREFOR, AND USE THEREOF 江苏普莱医药生物技术有限公司 2024-06-27 WO disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-11917839-B2 High signal-to-noise ratio photoelectric conversion element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-02-27 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-20240023422-A1 COMPOSITION, FILM, ORGANIC PHOTOELECTRIC CONVERSION ELEMENT, AND PHOTODETECTION ELEMENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-18 US disclosed
US-11877459-B2 Light detecting element SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2024-01-16 US disclosed
US-20090066223-A1 ORGANIC ELECTRIC FIELD LIGHT EMITTING ELEMENT AND PRODUCTION THEREFOR MITSUBISHI CHEMICAL CORPORATION (JP) 2009-03-12 US disclosed
US-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED 2008-05-01 US disclosed
WO-2008045945-A1 BENZINDOLE DERIVATIVES AND METHOD OF TREATING HIV/AIDS GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2008-04-17 WO disclosed
US-7250518-B2 Nicotinamide acids, amides, and their mimetics active as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-07-31 US disclosed
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PFIZER INC. (US) 2007-07-12 US disclosed
US-7183293-B2 Ether derivatives useful as inhibitors of PDE4 isozymes PFIZER INC. (US) 2007-02-27 US disclosed
EP-0847389-A4 PROCESS FOR PREPARING QUINOLINE BASES REILLY IND INC (US) 2001-04-11 EP disclosed
EP-0847389-A1 PROCESS FOR PREPARING QUINOLINE BASES REILLY INDUSTRIES, INC. (US) 1998-06-17 EP disclosed
US-5700942-A Process for preparing quinoline bases REILLY INDUSTRIES, INC. (US) 1997-12-23 US disclosed
WO-1997003051-A1 PROCESS FOR PREPARING QUINOLINE BASES REILLY INDUSTRIES, INC. (US) 1997-01-30 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 (2 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-20080103278-A1 NEW POLYMER AND POLYMER LIGHT-EMITTING DEVICE USING THE SAME CRY1, ARCN1, CORO1A CYP1A2 2208/4885CCR1 28/4885CCR5 1255/4885
US-20070161681-A1 ETHER DERIVATIVES USEFUL AS INHIBITORS OF PDE4 ISOZYMES PDE4A, PDE4B, PDE4D CYP1A2 231/4885CCR1 590/4885CCR5 573/4885

“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.