SCHEMBL315647

SCHEMBL315647

CC1Cc2ccccc2C1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.54
CREBBP Q92793 1/20 0.54
IDO1 P14902 2/20 0.46
ACHE P22303 1/20 0.44
DRD3 P35462 1/20 0.43
PLAU P00749 1/20 0.42
TSHR P16473 1/20 0.40
NOS3 P29474 1/20 0.40
NOS2 P35228 1/20 0.40

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
Methane SCHEMBL27448869 0.97 BRD4 (0.52) BRD4CREBBPIDO1ACHEDRD3
SCHEMBL29978110 0.82 PLAU (0.56) PLAUTSHR
SCHEMBL30147984 0.82 BRD4 (0.41) BRD4CREBBPIDO1ACHEDRD3
SCHEMBL15147099 0.82 PLAU (0.56) PLAUTSHR
SCHEMBL598142 0.82 PLAU (0.56) PLAUTSHR
SCHEMBL31236843 0.81 IDO1 (0.46) IDO1ACHEDRD3PLAUTSHR
SCHEMBL31236844 0.81 IDO1 (0.46) IDO1ACHEDRD3PLAUTSHR
SCHEMBL11863282 0.80 PLAU (0.54) PLAU
SCHEMBL15967875 0.78 CYP3A4 (0.48) BRD4CREBBPTSHR
SCHEMBL15888992 0.78 TSHR (0.50) IDO1PLAUTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113122052-A Ink composition TCL集团股份有限公司 2021-07-16 CN claimed
CN-111432851-A Use of volatile ingredients to limit or eliminate perception of malodour 弗门尼舍有限公司 2020-07-17 CN claimed
CN-106543078-A A kind of preparation method of quinoline 中国科学院兰州化学物理研究所苏州研究院 2017-03-29 CN claimed
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors GLAXOSMITHKLINE LLC 2014-10-30 US claimed
CN-103980151-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2014-08-13 CN claimed
CN-102516115-A Novel compounds as antagonists or inverse agonists at opioid receptors SMITHKLINE BEECHAM CORP 2012-06-27 CN claimed
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION 2010-09-02 US claimed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US claimed
JP-4347906-B2 2009-10-21 JP claimed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN claimed
US-6313312-B1 OPIATE RECEPTOR BINDERS; ALLERGIC DERMATITIS, PRURITUS; IRRITABLE BOWEL SYNDROME, GASTROINTESTINAL AND SKIN DISORDERS; VETERINARY MEDICINE; ANTI-ITCHING PFIZER INC 2001-11-06 US claimed
EP-1140828-A1 3-AZABICYCLO[3.1.0]HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS Pfizer Limited (GB) 2001-10-10 EP claimed
US-6265228-B1 REACTING AT LEAST ONE STARTING COMPOUND ATTACHED TO SOLID SUPPORT WITH SPECIFIC PRIMARY OR SECONDARY AMINE IN PRESENCE OF CARBOXYLIC ACID ACTIVATING AGENT TO PRODUCE DIACETOXY AMIDES, THEN TREATING WITH HYDRAZINE TO PRODUCE LIBRARY PHARMACOPEIA, INC. 2001-07-24 US claimed
US-6255120-B1 HYDROXYAMIDES ATTACHED TO SOLID SUPPORT PHARMACOPEIA, INC. 2001-07-03 US claimed
US-6087137-A PREPARING OPTICALLY ACTIVE COMPOUNDS FOR USE AS CHEMICAL INTERMEDIATES IN SYNTHESIS OF DRUGS AND AGRICULTURAL CHEMICALS ESPECIALLY ENZYME INHIBITORS TARGETED TO HUMAN IMMUNODEFICIENCY VIRUS ZENECA LIMITED (GB) 2000-07-11 US claimed
WO-2000039089-A1 3-AZABICYCLO[3.1.0.] HEXANE DERIVATIVES AS OPIATE RECEPTORS LIGANDS PFIZER LIMITED (GB) 2000-07-06 WO claimed
US-5976894-A FOR SCREENING BIOASSAYS TO DISCOVER BIOLOGICALLY ACTIVE MEMBERS PHARMACOPEIA, INC. (US) 1999-11-02 US claimed
EP-0828848-A1 PREPARATION OF HYDROXY COMPOUNDS BY BIOCONVERSION WITH DIOXYGENASE ZENECA LIMITED (GB) 1998-03-18 EP claimed
WO-1996037628-A1 PREPARATION OF HYDROXY COMPOUNDS BY BIOCONVERSION WITH DIOXYGENASE ZENECA LIMITED (GB) 1996-11-28 WO claimed
EP-0160508-B1 PHENOL DERIVATIVES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-05-31 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 BRD4 530/4885CREBBP 569/4885IDO1 1281/4885
US-20140323487-A1 Novel Compounds As Antagonists Or Inverse Agonists At Opioid Receptors OPRL1, OPRM1, OPRK1 BRD4 1673/4885CREBBP 905/4885IDO1 1130/4885
US-20100222345-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS FOR OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 BRD4 1419/4885CREBBP 907/4885IDO1 1142/4885

“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.