SCHEMBL4866616

SCHEMBL4866616

O=C1C=C(Cc2ccccc2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CALM1 P0DP23 1/20 0.44
POLB P06746 1/20 0.43
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
DAO P14920 1/20 0.39
PTPN1 P18031 1/20 0.39
TEK Q02763 1/20 0.39
SORT1 Q99523 1/20 0.38
LTA4H P09960 1/20 0.36
IDH1 O75874 5/20 0.36
PARP11 Q9NR21 1/20 0.36
CYP19A1 P11511 3/20 0.35

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
SCHEMBL6647917 0.88 POLB (0.53) CALM1POLBMAOAMAOBDAO
SCHEMBL7518433 0.88 POLB (0.49) CALM1POLBMAOAMAOBDAO
SCHEMBL4866570 0.77 TSHR (0.54) POLBMAOAMAOBDAO
SCHEMBL30965432 0.72 HTR1A (0.46) CALM1CYP19A1
SCHEMBL15468418 0.71 MAOA (0.39) CALM1POLBMAOAMAOBDAO
SCHEMBL6521499 0.71 POLB (0.47) POLBMAOAMAOB
SCHEMBL9609548 0.71 POLB (0.51) POLBMAOAMAOBDAO
Hydrochloric Acid SCHEMBL11549616 0.69 CALM1 (0.38) CALM1POLBMAOAMAOBDAO
SCHEMBL981029 0.69 CALM1 (0.42) CALM1MAOAMAOBDAOPTPN1
SCHEMBL110859 0.69 CALM1 (0.52) CALM1DAOLTA4HIDH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6384031-B1 None US disclosed
EP-2438989-B1 USE OF ASYMMETRIC HYDROGENATION CATALYST TAKASAGO PERFUMERY CO LTD (JP) 2016-04-13 EP disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-9000192-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2015-04-07 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-8674144-B2 Catalyst for asymmetric hydrogenation and method for manufacturing optically active carbonyl compound using the same TAKASAGO INTERNATIONAL CORPORATION (JP) 2014-03-18 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-08-22 US disclosed
US-8217204-B2 Catalyst for asymmetric hydrogenation TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-07-10 US disclosed
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME TAKASAGO INTERNATIONAL CORPORATION (JP) 2012-05-31 US disclosed
US-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems BUCHWALD STEPHEN L (US) 2005-03-24 US disclosed
US-6787655-B2 TRANSITION-METAL-CATALYZED ASYMMETRIC 1,4-ADDITION OF A NUCLEOPHILE, E.G., HYDRIDE, TO CYCLIC AND ACYCLIC ENOATES AND ENONES AND THE CATALYST CONTAINING A COPPER AND AN ASYMMETRIC BIDENTATE BISPHOSPHINE LIGAND MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2004-09-07 US disclosed
US-6667309-B2 Such as 3-benzyl-2-cyclopenten-1-one; for treatment of gastrointestinal disorders such as irritable bowel syndrome or esophageal reflux, and inhibiting side effects with administration of erythromycin ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-12-23 US disclosed
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2003-07-03 US disclosed
US-6465664-B1 CATALYZED WITH A TRANSITION METAL CATALYST COMPOSED OF A COPPER COMPOUND AND AN ASYMMETRIC LIGAND, SUCH AS A PHOSPHINE, A NUCLEOPHILE AND A BASE MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2002-10-15 US disclosed
US-20020103238-A1 Novel cyclobutene derivatives useful as antagonists of the motilin receptor CHEN ROBERT H (US) 2002-08-01 US disclosed
US-6384031-B2 SUBSTITUTED PHENYLAMINO(METHYLCYCLOBUTENE) DERIVATIVES ARE USEFUL IN TREATING GASTROINTESTINAL DISORDERS ASSOCIATED WITH ANTAGONIZING THE THE MOTILLIN RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-05-07 US disclosed
US-20010056106-A1 Novel cyclobutene derivatives useful as antagonists of the motilin receptor DAMASIO JR, JOSPEH 2001-12-27 US disclosed
WO-2001068622-A1 NOVEL CYCLOBUTENE DERIVATIVES USEFUL AS ANTAGONISTS OF THE MOTILIN RECEPTOR ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2001-09-20 WO disclosed
WO-2001019761-A2 ASYMMETRIC 1,4-REDUCTIONS OF AND 1,4-ADDITIONS TO ENOATES AND RELATED SYSTEMS MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2001-03-22 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 (6 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-20050065349-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 CALM1 3576/4885POLB 2479/4885MAOA 2486/4885
US-20120136176-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, HIRA, HRH1 CALM1 3544/4885POLB 3022/4885MAOA 758/4885
US-20130217895-A1 CATALYST FOR ASYMMETRIC HYDROGENATION AND METHOD FOR MANUFACTURING OPTICALLY ACTIVE CARBONYL COMPOUND USING THE SAME HMOX1, NQO1, CBR3 CALM1 3344/4885POLB 2049/4885MAOA 437/4885
US-20020103238-A1 Novel cyclobutene derivatives useful as antagonists of the motilin receptor MLNR, GIPR, CCKBR CALM1 2327/4885POLB 2278/4885MAOA 2200/4885
US-20030125563-A1 Asymmetric 1,4-reductions of and 1,4-additions to enoates and related systems APEX1, AP2A1, ENPP1 CALM1 3576/4885POLB 2479/4885MAOA 2486/4885
US-20010056106-A1 Novel cyclobutene derivatives useful as antagonists of the motilin receptor MLNR, GIPR, CCKBR CALM1 2327/4885POLB 2278/4885MAOA 2200/4885

“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.