SCHEMBL338538

SCHEMBL338538

[c]1cccc2c1CCc1ccccc1-2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.45
SRD5A1 P18405 2/20 0.38
SRD5A2 P31213 1/20 0.38
MAOB P27338 3/20 0.36
MAOA P21397 2/20 0.36
CYP2A6 P11509 1/20 0.36
SETD7 Q8WTS6 1/20 0.36
NOS3 P29474 1/20 0.34
NOS2 P35228 1/20 0.34
PDPK1 O15530 1/20 0.34
PARP1 P09874 1/20 0.34
PARP10 Q53GL7 1/20 0.34
PARP11 Q9NR21 1/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
TDP1 Q9NUW8 1/20 0.34
RAB9A P51151 2/20 0.34
NPC1 O15118 1/20 0.34
CYP19A1 P11511 2/20 0.33
CYP11B2 P19099 2/20 0.33
CYP11B1 P15538 1/20 0.33

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
SCHEMBL10471250 0.88 CYP2A6 (0.47) CES1MAOBMAOACYP2A6NOS3
SCHEMBL8161641 0.85 CES1 (0.59) CES1MAOBMAOACYP2A6L3MBTL1
SCHEMBL23903 0.81 MAOA (0.41) CES1SRD5A2MAOBMAOARAB9A
SCHEMBL34907 0.80
Dihydrophenanthrene SCHEMBL30297028 0.76 CES1 (0.68) CES1SRD5A1SRD5A2MAOBMAOA
Dihydrophenanthrene SCHEMBL155991 0.76 CES1 (0.68) CES1SRD5A1SRD5A2MAOBMAOA
Dihydrophenanthrene SCHEMBL29404495 0.76 CES1 (0.68) CES1SRD5A1SRD5A2MAOBMAOA
SCHEMBL560030 0.75 CYP2A6 (0.43) MAOBMAOACYP2A6
Dihydrophenanthrene SCHEMBL28858771 0.74 CES1 (0.65) CES1SRD5A1SRD5A2MAOBMAOA
SCHEMBL30436624 0.74 CES1 (0.65) CES1SRD5A1SRD5A2MAOBMAOA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110698380-B Lactam derivative and preparation method and application thereof 华东理工大学 2021-01-15 CN claimed
CN-110698380-A Lactam derivative and preparation method and application thereof 华东理工大学 2020-01-17 CN claimed
US-8163900-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2012-04-24 US claimed
US-8034882-B2 Biscarbazol-9-yl-substituted triarylamine-containing polymers and electronic devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-10-11 US claimed
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-09-09 US claimed
US-7750149-B2 Seven-membered heterocyclic carbenes and their metal complexes WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2010-07-06 US claimed
US-20090066224-A1 DICARBAZOLE AROMATIC AMINE POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2009-03-12 US claimed
US-20080265755-A1 Biscarbazol-9-Yl-Substituted Triarylamine-Containing Polymers and Electronic Devices SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2008-10-30 US claimed
WO-2006096399-A2 DICARBAZOLE AROMATIC AMINE POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2006-09-14 WO claimed
WO-2006096332-A2 BISCARBAZOL-9-YL-SUBSTITUTED TRIARYLAMINE-CONTAINING POLYMERS AND ELECTRONIC DEVICES SUMITOMO CHEMICAL COMPANY, LTD. (JP) 2006-09-14 WO claimed
US-5225584-A Phosphonate esters and trialkylsilyl phosphonate esters TROPIX, INC. (US) 1993-07-06 US claimed
EP-0441948-A4 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR 1992-06-03 EP claimed
EP-0441948-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-08-21 EP claimed
WO-1991003479-A1 SYNTHESIS OF STABLE, WATER-SOLUBLE CHEMILUMINESCENT 1,2-DIOXETANES AND INTERMEDIATES THEREFOR TROPIX, INC. (US) 1991-03-21 WO claimed
US-4140681-A ANTICOAGULANTS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1979-02-20 US claimed
US-4131673-A INHIBITION AND SUPPRESSION OF THROMBOSIS IN MAMMALS MITSUBISHI CHEMICAL INDUSTRIES, LIMITED (JP) 1978-12-26 US claimed
US-4125604-A PEPTIDES, ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-11-14 US claimed
US-4101653-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JP) 1978-07-18 US claimed
US-4093712-A ANTITHROMBOGENIC AGENTS MITSUBISHI CHEMICAL INDUSTRIES LIMITED (JA) 1978-06-06 US claimed
US-4066773-A ANTITHROMBOSIS MITSUBISHI CHEMICAL INDUSTRIES LTD. (JA) 1978-01-03 US 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-20090066224-A1 DICARBAZOLE AROMATIC AMINE POLYMERS AND ELECTRONIC DEVICES NAT1, SAT1, RIF1 CES1 1725/4885SRD5A1 1761/4885SRD5A2 2872/4885
US-20100228024-A1 SEVEN-MEMBERED HETEROCYCLIC CARBENES AND THEIR METAL COMPLEXES CYCS, COG7, SOD1 CES1 2895/4885SRD5A1 2015/4885SRD5A2 1354/4885
US-20080265755-A1 Biscarbazol-9-Yl-Substituted Triarylamine-Containing Polymers and Electronic Devices PYM1, KCNMB4, BRD9 CES1 1062/4885SRD5A1 3924/4885SRD5A2 3888/4885

“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.