SCHEMBL293828

SCHEMBL293828

CCCCC1CCNCC1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.58
GNAO1 P09471 12/20 0.55
GNAI3 P08754 11/20 0.50
GNAI1 P63096 11/20 0.50
LMNA P02545 1/20 0.42
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
ITGB3 P05106 4/20 0.39
ITGA2B P08514 4/20 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
Ammonia Solution, Strong SCHEMBL27315646 0.98 CYP1A2 (0.56) CYP1A2GNAO1GNAI3GNAI1LMNA
Hydrochloric Acid SCHEMBL851007 0.98 GNAO1 (0.58) CYP1A2GNAO1GNAI3GNAI1LMNA
Benzene SCHEMBL27520261 0.93 CYP1A2 (0.52) CYP1A2GNAO1GNAI3GNAI1LMNA
SCHEMBL1368752 0.93 GNAO1 (0.58) CYP1A2GNAO1GNAI3GNAI1HRH3
SCHEMBL21284609 0.91 CYP1A2 (0.61) CYP1A2GNAO1GNAI3GNAI1LMNA
Hydrochloric Acid SCHEMBL7645440 0.91 GNAO1 (0.61) CYP1A2GNAO1GNAI3GNAI1ITGB3
SCHEMBL5494333 0.91 GNAO1 (0.61) CYP1A2GNAO1GNAI3GNAI1ITGB3
SCHEMBL7345197 0.91 GNAO1 (0.61) CYP1A2GNAO1GNAI3GNAI1ITGB3
SCHEMBL9384220 0.91 GNAO1 (0.61) CYP1A2GNAO1GNAI3GNAI1ITGB3
SCHEMBL9388856 0.91 GNAO1 (0.61) CYP1A2GNAO1GNAI3GNAI1ITGB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019203427-A1 CHELATING AGENT HAVING EXCELLENT PROPERTY OF SELECTIVELY FORMING COMPLEX WITH SPECIFIC METAL ION, AND PRODUCTION METHOD THEREFOR (주)이엠티 2019-10-24 WO claimed
CN-110358353-A A kind of ultraviolet light solidification optical fiber coloring ink composition and its application 浙江瑞通光电材料有限公司 2019-10-22 CN claimed
US-10067266-B2 Method of producing resin for thiourethane-based optical material using general-purpose polyisocyanate compound, resin composition for thiourethane-based optical material and thiourethane-based optical material including resin produced by the method KOC SOLUTION CO., LTD. (KR) 2018-09-04 US claimed
CN-103108918-B Method for manufacturing resin for thiourethane-based optical material using universal polyisocyanate compound, resin composition, and optical material manufactured thereby KOC SOLUTION CO LTD 2015-07-15 CN claimed
CN-103108918-A Method for manufacturing resin for thiourethane-based optical material using universal polyisocyanate compound, resin composition, and optical material manufactured thereby KOC SOLUTION CO LTD 2013-05-15 CN claimed
CN-102558026-A Synthesis and optimized process of 4-N-butyl-1-[4-(2-methylphenyl)-4-one-1-butyl]piperidine. N-benzyl-4-piperidone (1) CGENE TECH SUZHOU CHINA CO LTD 2012-07-11 CN claimed
EP-2006271-A9 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2009-07-29 EP claimed
US-20090054401-A1 Substituted bicyclic derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-02-26 US claimed
EP-2006271-A2 SUBSTITUTED BICYCLIC CYCLIC DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2008-12-24 EP claimed
EP-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP claimed
US-5484949-A Method for the synthesis of α β-unsaturated ketones NIPPON SODA CO., LTD. (JP) 1996-01-16 US claimed
EP-4472956-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE, COMPOSITIONS, AND METHODS OF USE Bristol-Myers Squibb Company (US) 2024-12-11 EP disclosed
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use BRISTOL-MYERS SQUIBB COMPANY (US) 2024-12-10 US disclosed
CN-118660875-A Protein tyrosine phosphatase inhibitors, compositions, and methods of use 百时美施贵宝公司 2024-09-17 CN disclosed
EP-4400499-A1 GLUTARIMIDE COMPOUND AND USE THEREOF Medshine Discovery Inc. (CN) 2024-07-17 EP disclosed
EP-0604494-A1 5-HT 4? RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 1994-07-06 EP disclosed
EP-0454867-A1 A METHOD FOR THE SYNTHESIS OF -g(a), -g(b)-UNSATURATED KETONES. NIPPON SODA CO (JP) 1991-11-06 EP disclosed
WO-1991007370-A1 A METHOD FOR THE SYNTHESIS OF α, β-UNSATURATED KETONES NIPPON SODA CO., LTD. (JP) 1991-05-30 WO disclosed
EP-0225886-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM. CHEMIE LINZ AG (AT) 1987-06-24 EP disclosed
WO-1986006719-A1 NEW PYRIDAZINE COMPOSITIONS, PRODUCTION PROCESS THEREOF AND FUNGICIDES AND ALGICIDES CONTAINING THEM CHEMIE LINZ AKTIENGESELLSCHAFT (AT) 1986-11-20 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-20090054401-A1 Substituted bicyclic derivatives and use thereof LTB4R2, LTC4S, LTB4R CYP1A2 612/4885GNAO1 766/4885GNAI3 1830/4885
US-12162848-B2 Inhibitors of protein tyrosine phosphatase, compositions, and methods of use PTPN2, PTPN22, PTPN5 CYP1A2 735/4885GNAO1 1184/4885GNAI3 753/4885

“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.