SCHEMBL6223307

SCHEMBL6223307

CCCCCC(=O)ONC(=O)OCCCC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
EPHX1 P07099 1/20 0.50
PRSS1 P07477 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
DNM1 Q05193 1/20 0.45
ACHE P22303 7/20 0.44
PAM P19021 2/20 0.44
NAAA Q02083 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 1/20 0.44
TSHR P16473 1/20 0.42
MAPT P10636 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
SCHEMBL6946859 0.98 DGKA (0.56) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL11531047 0.95 EPHX1 (0.58) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL11532760 0.95 EPHX1 (0.58) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL11525493 0.95 EPHX1 (0.58) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL8973569 0.95 EPHX1 (0.58) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL11522408 0.95 EPHX1 (0.58) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL7256775 0.95 EPHX1 (0.47) DGKAEPHX1ACHENAAAALDH1A1
SCHEMBL11525727 0.93 EPHX1 (0.48) DGKAEPHX1ACHENAAAALDH1A1
SCHEMBL27522367 0.91 DGKA (0.56) DGKAEPHX1PRSS1PRSS2PRSS3
SCHEMBL28333279 0.87 DGKA (0.50) DGKAPRSS1PRSS2PRSS3DNM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8791129-B2 Phenylquinazoline derivatives MERCK PATENT GMBH (DE) 2014-07-29 US claimed
US-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2013-07-11 US claimed
CN-112020493-B Method for producing urethane and method for producing isocyanate 旭化成株式会社 2023-04-21 CN disclosed
CN-110546135-B Method for producing isocyanate 旭化成株式会社 2021-12-14 CN disclosed
CN-110546135-A Method for producing isocyanate ASAHI CHEMICAL IND 2019-12-06 CN disclosed
EP-1590334-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2005-11-02 EP disclosed
WO-2004067516-A1 2,4-DIAMINOPYRIMIDINE DERIVATIVES USEFUL AS INHIBITORS OF PKC-THETA BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2004-08-12 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 (1 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-20130178443-A1 PHENYLQUINAZOLINE DERIVATIVES HSP90B1, HSP90AB1, HSP90AA1 DGKA 4050/4885EPHX1 3512/4885PRSS1 3277/4885

“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.