SCHEMBL1783499

SCHEMBL1783499

c1ccc2c([C]3CCCCC3)cccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 1/20 0.42
GALR1 P47211 1/20 0.41
ALDH1A1 P00352 4/20 0.40
CYP2A6 P11509 3/20 0.40
TSHR P16473 2/20 0.40
HSD17B10 Q99714 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
PTPN1 P18031 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALPL P05186 1/20 0.39
GAA P10253 1/20 0.39
BRD4 O60885 1/20 0.39
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 1/20 0.38
HPGD P15428 1/20 0.38
KEAP1 Q14145 1/20 0.38
HTR1A P08908 2/20 0.37
HTR7 P34969 2/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL28753798 1.00 NISCH (0.42) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL497993 0.98 NISCH (0.43) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL4723266 0.93 NISCH (0.43) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL497769 0.89 ALDH1A1 (0.46) NISCHGALR1ALDH1A1CYP2A6TSHR
SCHEMBL4721549 0.82 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10KDM4EGAA
SCHEMBL29109615 0.80 ALDH1A1 (0.37) ALDH1A1TSHRHSD17B10TDP1KDM4E
SCHEMBL9044714 0.79 NISCH (0.47) NISCHALDH1A1CYP2A6TSHRHSD17B10
SCHEMBL4722083 0.79 ALDH1A1 (0.39) ALDH1A1TSHRHSD17B10KDM4EGAA
SCHEMBL29110070 0.78 ALDH1A1 (0.38) ALDH1A1TSHRHSD17B10TDP1KDM4E
SCHEMBL29186323 0.76 NISCH (0.43) NISCHGALR1ALDH1A1CYP2A6TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115424682-A Ethylene oligomerization catalyst molecule design method based on machine learning 华东理工大学 2022-12-02 CN claimed
CN-114621181-A Star-shaped tetramine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2022-06-14 CN claimed
US-11021501-B2 Creatine phosphate analog prodrugs, compositions and methods of use thereof Farmington Pharma Development (US) 2021-06-01 US claimed
CN-108516919-A A kind of preparation method of the cyclohexyl derivative of naphthalene 吉林化工学院 2018-09-11 CN claimed
WO-2016160885-A1 CREATINE PHOSPHATE ANALOG PRODRUGS, COMPOSITIONS AND USES THEREOF Farmington Pharma Development (US) 2016-10-06 WO claimed
US-20160289253-A1 CREATINE PHOSPHATE ANALOG PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF Farmington Pharma Development 2016-10-06 US claimed
CN-104511311-A High-selectivity catalyst system used in trimerization and tetramerization of ethylene and use method thereof UNIV EAST CHINA SCIENCE & TECH 2015-04-15 CN claimed
US-8466131-B2 Ligands specific for cannabinoid receptor subtype 2 University of Pittsburgh—of the Commonwealth System of Higher Education (US) 2013-06-18 US claimed
US-20110118214-A1 LIGANDS SPECIFIC FOR CANNABINOID RECEPTOR SUBTYPE 2 University of Pittsburgh--Of the Commonwealth 2011-05-19 US claimed
WO-2009058377-A1 LIGANDS SPECIFIC FOR CANNABINOID RECEPTOR SUBTYPE 2 UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2009-05-07 WO claimed
EP-1654225-A4 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN INC (US) 2007-11-28 EP claimed
EP-1654225-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS Amgen, Inc. (US) 2006-05-10 EP claimed
US-20050256161-A1 Melanin concentrating hormone receptor antagonists AMGEN INC. 2005-11-17 US claimed
WO-2005019240-A2 MELANIN CONCENTRATING HORMONE RECEPTOR ANTAGONISTS AMGEN, INC. (US) 2005-03-03 WO claimed
CN-114573536-B Star-shaped triarylamine derivative and organic electroluminescent device thereof 长春海谱润斯科技股份有限公司 2023-12-22 CN disclosed
EP-4284853-A1 ADDUCT OF ALKYLATED DIAMINE AND EPOXY NOVOLAC RESIN Sika Technology AG (CH) 2023-12-06 EP disclosed
US-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) 2023-11-07 US disclosed
US-4031023-A Lubricating compositions and methods utilizing hydroxy thioethers THE LUBRIZOL CORPORATION (US) 1977-06-21 US disclosed
US-4029615-A AZO COMPOUNDS PENNWALT CORPORATION (US) 1977-06-14 US disclosed
US-3993609-A ACID SENSITIVE AZO PROMOTERS PENNWALT CORPORATION (US) 1976-11-23 US 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 (5 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-11807656-B2 Polycyclic aromatic compound and light emission layer-forming composition ARNT, TYR, NLRP3 NISCH 2456/4885GALR1 316/4885ALDH1A1 2119/4885
US-20110118214-A1 LIGANDS SPECIFIC FOR CANNABINOID RECEPTOR SUBTYPE 2 CNR1, CNR2, OPRL1 NISCH 2997/4885GALR1 25/4885ALDH1A1 3035/4885
US-20160289253-A1 CREATINE PHOSPHATE ANALOG PRODRUGS, COMPOSITIONS AND METHODS OF USE THEREOF CKMT1A; CKMT1B, SLC2A1, SLC2A4 NISCH 2839/4885GALR1 3917/4885ALDH1A1 2325/4885
US-20050256161-A1 Melanin concentrating hormone receptor antagonists MCHR1, MC1R, NPY1R NISCH 1322/4885GALR1 28/4885ALDH1A1 1836/4885
US-11021501-B2 Creatine phosphate analog prodrugs, compositions and methods of use thereof CKMT1A; CKMT1B, SLC2A1, SLC2A4 NISCH 2839/4885GALR1 3917/4885ALDH1A1 2325/4885

“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.