SCHEMBL96257

SCHEMBL96257

O=[C]c1cc2ccccc2o1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 2/20 0.64
FLT3 P36888 1/20 0.48
TYR P14679 1/20 0.47
DAO P14920 1/20 0.47
AKR1B1 P15121 1/20 0.47
HPGD P15428 1/20 0.47
POLB P06746 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
CA2 P00918 3/20 0.46
MAOB P27338 5/20 0.44
KDM4E B2RXH2 3/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 1/20 0.44
TDP1 Q9NUW8 2/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
MGLL Q99685 1/20 0.44
HSD17B10 Q99714 1/20 0.44
CA12 O43570 4/20 0.43
CA9 Q16790 4/20 0.43
CA1 P00915 3/20 0.43

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
SCHEMBL3714418 0.78 CYP2A6 (0.64) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL4816114 0.78 CYP2A6 (0.64) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL30142419 0.78 CYP2A6 (1.00) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL2855183 0.78 CYP2A6 (0.64) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL1778078 0.78 CYP2A6 (0.64) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL846924 0.78 CYP2A6 (1.00) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL18253195 0.75 CYP2A6 (0.60) CYP2A6FLT3TYRDAOAKR1B1
SCHEMBL23859796 0.74 MAOB (0.55) SMN1; SMN2CA2MAOBKDM4ERAB9A
SCHEMBL2229964 0.74 HPGD (0.56) TYRDAOAKR1B1HPGDPOLB
SCHEMBL5327160 0.74 CYP2A6 (0.58) CYP2A6FLT3TYRDAOAKR1B1

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 1689 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3356387-B1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS UNIV MONASH (AU) 2024-06-26 EP claimed
CN-114369178-A Photoinitiating composition, photocuring composition, photoresist, photocuring composition and application of photoresist 江苏英力科技发展有限公司 2022-04-19 CN claimed
US-11225505-B2 Antimicrobial polymyxin derivative compounds MONASH UNIVERSITY (AU) 2022-01-18 US claimed
CN-111689989-B Containing SO2Polyheterocyclic compounds and uses thereof 北京燕化集联光电技术有限公司 2021-11-02 CN claimed
CN-111662298-B Compound containing multiple heterocyclic rings and application thereof in organic electroluminescent device 北京燕化集联光电技术有限公司 2021-08-10 CN claimed
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS MONASH UNIVERSITY (AU) 2018-10-04 US claimed
EP-3356387-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS Monash University (AU) 2018-08-08 EP claimed
US-9896452-B2 Substituted prolines/piperidines as orexin receptor antagonists EOLAS THERAPEUTICS, INC. (US) 2018-02-20 US claimed
CN-106831755-A Benzamide compound and its salt form and purposes 阿腾弩阿公司 2017-06-13 CN claimed
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS, INC. 2017-04-13 US claimed
WO-1992008701-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO claimed
WO-1992008700-A1 RETROVIRAL PROTEASE INHIBITORS MONSANTO COMPANY (US) 1992-05-29 WO claimed
US-4727060-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1988-02-23 US claimed
EP-0184550-A2 5-Amino-4-hydroxy valeryl amide derivatives CIBA-GEIGY AG (CH) 1986-06-11 EP claimed
EP-0053893-B1 DERIVATIVES OF CLAVULANIC ACID, THEIR PREPARATION AND THEIR USE BEECHAM GROUP PLC (GB) 1985-03-20 EP claimed
EP-0000599-B1 ELECTRICALLY PHOTOSENSITIVE PARTICLES FOR PHOTOELECTROPHORETIC MIGRATION IMAGING PROCESSES EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1983-02-02 EP claimed
US-4293626-A ORGANIC PIGMENT EASTMAN KODAK COMPANY (US) 1981-10-06 US claimed
US-4272595-A UNSATURATED NITRILE EASTMAN KODAK COMPANY (US) 1981-06-09 US claimed
US-4256819-A MEROCYANINES EASTMAN KODAK COMPANY (US) 1981-03-17 US claimed
EP-0000599-A1 Electrically photosensitive particles for photoelectrophoretic migration imaging processes EASTMAN KODAK COMPANY (a New Jersey corporation) (US) 1979-02-07 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-11225505-B2 Antimicrobial polymyxin derivative compounds VIP, PNKP, PEPD CYP2A6 4500/4885FLT3 1197/4885TYR 4595/4885
US-20170101410-A1 SUBSTITUTED PROLINES / PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS HCRTR2, HCRTR1, OPRL1 CYP2A6 2520/4885FLT3 2017/4885TYR 1539/4885
US-20180282374-A1 ANTIMICROBIAL POLYMYXIN DERIVATIVE COMPOUNDS VIP, PNKP, PEPD CYP2A6 4500/4885FLT3 1197/4885TYR 4595/4885

“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.