SCHEMBL6200426

SCHEMBL6200426

[CH2]/C=C/CCCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.45
MAOA P21397 1/20 0.45
MAOB P27338 3/20 0.43
HTR2A P28223 1/20 0.43
IDO1 P14902 1/20 0.42
HDAC3 O15379 1/20 0.42
MAPK1 P28482 1/20 0.42
ADRA1A P35348 1/20 0.42
HDAC4 P56524 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HDAC1 Q13547 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6200429 1.00 SIGMAR1 (0.45) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL10889347 0.96 TOP1 (0.43) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL10889349 0.96 TOP1 (0.43) SIGMAR1MAOAMAOBHTR2AIDO1
SCHEMBL1045094 0.92 TRPV1 (0.49) SIGMAR1MAOAMAOB
SCHEMBL1045004 0.92 TRPV1 (0.49) SIGMAR1MAOAMAOB
SCHEMBL1045092 0.92 TRPV1 (0.49) SIGMAR1MAOAMAOB
SCHEMBL1045005 0.92 TRPV1 (0.49) SIGMAR1MAOAMAOB
SCHEMBL3038310 0.86 GPR52 (0.50) MAOBHTR2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL3038309 0.86 GPR52 (0.50) MAOBHTR2ASMN1; SMN2ALDH1A1HPGD
SCHEMBL1044867 0.84 SIGMAR1 (0.39) SIGMAR1MAOAMAOBHTR2AIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2792675-B1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION MICROBIAL CHEM RES FOUND (JP) 2017-04-12 EP disclosed
CN-103998439-B compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2016-03-23 CN disclosed
US-9187498-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-11-17 US disclosed
US-20150183807-A1 Compound and Asymmetric Synthesis Reaction MICROBIAL CHEM RES FOUND (JP) 2015-07-02 US disclosed
US-8981123-B2 Compound and asymmetric synthesis reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2015-03-17 US disclosed
EP-2792675-A1 COMPOUND AND ASYMMETRIC SYNTHESIS REACTION Microbial Chemistry Research Foundation (JP) 2014-10-22 EP disclosed
US-20140296539-A1 Compound and Asymmetric Synthesis Reaction MICROBIAL CHEMISTRY RESEARCH FOUNDATION (JP) 2014-10-02 US disclosed
CN-103998439-A Compound and asymmetric synthesis reaction MICROBIAL CHEM RES FOUND 2014-08-20 CN disclosed
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-4886809-A CARDIOTONIC AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-12-12 US disclosed
US-4845100-A WITH HYPOTENSIVE AND ANTIINFLAMMATORY ACTIVITY OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1989-07-04 US disclosed
CN-1030415-A Saturated heterocycle carboxamide derivatives and its preparation method YAMANOUCHI PHARMA CO LTD (JP) 1989-01-18 CN disclosed
EP-0279681-A2 Saturated heterocyclic carboxamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-08-24 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed
EP-0255134-A2 Carbostyril derivatives and salts thereof, process for preparing them, and cardiotonic composition containing same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-02-03 EP disclosed
EP-0202760-A2 Carbostyril derivatives and salts thereof, processes for preparing the same and cardiotonic composition containing the same OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-11-26 EP disclosed
US-4605645-A ANTITUMOR AGENTS TEIJIN LIMITED (JP) 1986-08-12 US disclosed
EP-0081386-B1 5-FLUORO-2'-DEOXYURIDINE DERIVATIVES AND A PROCESS FOR THE PREPARATION THEREOF TEIJIN LIMITED (JP) 1985-05-29 EP disclosed
EP-0081386-A1 5-Fluoro-2'-deoxyuridine derivatives and a process for the preparation thereof TEIJIN LIMITED (JP) 1983-06-15 EP 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-20150183807-A1 Compound and Asymmetric Synthesis Reaction CYP2E1, REV1, CYP19A1 SIGMAR1 2238/4885MAOA 1477/4885MAOB 1137/4885
US-20140296539-A1 Compound and Asymmetric Synthesis Reaction CYP2E1, REV1, CYP19A1 SIGMAR1 2238/4885MAOA 1477/4885MAOB 1137/4885

“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.