SCHEMBL3079795

SCHEMBL3079795

O=C(O)[C@H](Cc1ccccc1)c1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.71
P4HTM Q9NXG6 1/20 0.60
CYP1A2 P05177 1/20 0.59
CHRM1 P11229 6/20 0.56
UBE2N P61088 1/20 0.56
ALPI P09923 1/20 0.55
PKM P14618 1/20 0.55
PTGS1 P23219 1/20 0.55
XIAP P98170 1/20 0.55
SLC7A5 Q01650 1/20 0.55
CYP2C19 P33261 1/20 0.55
CPA1 P15085 3/20 0.53
CPA3 P15088 2/20 0.52
FOLH1 Q04609 1/20 0.52
CPB1 P15086 1/20 0.52
CPB2 Q96IY4 1/20 0.52
SRR Q9GZT4 1/20 0.50
ACP3 P15309 1/20 0.50

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
SCHEMBL599399 1.00 EPHX1 (0.71) EPHX1P4HTMCYP1A2CHRM1UBE2N
SCHEMBL67234 1.00 EPHX1 (0.71) EPHX1P4HTMCYP1A2CHRM1UBE2N
Hydrochloric Acid SCHEMBL933353 0.98 EPHX1 (0.69) EPHX1P4HTMCYP1A2CHRM1UBE2N
SCHEMBL5156210 0.88 ESR1 (0.61) EPHX1P4HTMCYP1A2CHRM1UBE2N
SCHEMBL5161421 0.88 ESR1 (0.61) EPHX1P4HTMCYP1A2CHRM1UBE2N
SCHEMBL27600068 0.87 EPHX1 (0.71) EPHX1CYP1A2CHRM1UBE2NALPI
SCHEMBL3370947 0.87 EPHX1 (0.56) EPHX1P4HTMPTGS1CYP2C19
SCHEMBL7816162 0.87 CHRM1 (0.61) EPHX1P4HTMCYP1A2CHRM1UBE2N
SCHEMBL1296553 0.87 EPHX1 (0.56) EPHX1P4HTMCYP1A2UBE2NPTGS1
SCHEMBL4153500 0.87 P4HTM (0.56) EPHX1P4HTMCYP1A2CHRM1UBE2N

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2251316-B1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIV OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2018-02-21 EP disclosed
WO-2014016766-A1 GUANIDINE DERIVATIVES AS TRPC MODULATORS GLENMARK PHARMACEUTICALS S.A. (CH) 2014-01-30 WO disclosed
US-20120149718-A1 Amido Compounds BROTHERTON-PLEISS CHRISTINE E (US) 2012-06-14 US disclosed
EP-2251316-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID Tokyo University Of Science Educational Foundation Administrative Organization (JP) 2010-11-17 EP disclosed
US-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID TOKYO UNIVERSITY OF SCIENCE EDUCATIONAL FOUNDATION ADMINISTRATIVE ORGANIZATION (JP) 2010-09-16 US disclosed
EP-0673911-B1 Process for producing optically active carboxylic acids and chiral ligands for this purpose TAKASAGO PERFUMERY CO LTD (JP) 1999-01-20 EP disclosed
US-5646144-A FOR TREATING DISORDERS IN WHICH SUBSTANCE P PLAYS A PART IN DEVELOPMENT CIBA-GEIGY CORPORATION (US) 1997-07-08 US disclosed
US-5563295-A HYDROGENATION OF OLEFINIC CARBOXYLIC ACID USING RUTHENIUM-PHOSPHINE COMPLEX CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-10-08 US disclosed
US-5541195-A SUBSTANCE P ANTAGONISTS CIBA-GEIGY CORPORATION (US) 1996-07-30 US disclosed
EP-0673911-A1 Process for producing optically active carboxylic acids and chiral ligands for this purpose Takasago International Corporation (JP) 1995-09-27 EP disclosed
EP-0532456-B1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA GEIGY AG (CH) 1995-03-29 EP disclosed
US-5310743-A Substance P antagonist CIBA-GEIGY CORP. (US) 1994-05-10 US disclosed
EP-0532456-A1 1-Acylpiperidine derivatives and their use as substance P antagonists CIBA-GEIGY AG (CH) 1993-03-17 EP disclosed
EP-0272787-B1 CATALYTIC PRODUCTION OF OPTICALLY ACTIVE CARBOXYLIC ACID Takasago International Corporation (JP) 1992-05-06 EP disclosed
US-4962230-A RUTHENIUM-OPTICALLY ACTIVE PHOSPHINE COMPLEX HYDROGENATION CATALYST TAKASAGO INTERNATIONAL CORPORATION (JP) 1990-10-09 US disclosed
EP-0272787-A2 Catalytic production of optically active carboxylic acid Takasago International Corporation (JP) 1988-06-29 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-20100234610-A1 METHOD FOR PRODUCING OPTICALLY ACTIVE ESTER AND METHOD FOR PRODUCING OPTICALLY ACTIVE CARBOXYLIC ACID ACADM, ADH5, ALDH7A1 EPHX1 394/4885P4HTM 1126/4885CYP1A2 239/4885
US-20120149718-A1 Amido Compounds P2RX7, P2RX3, P2RX2 EPHX1 1013/4885P4HTM 1467/4885CYP1A2 1264/4885

“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.