SCHEMBL2531853

SCHEMBL2531853

CC(C)(C)C(=O)OCCCO

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.47
CYP4A11 Q02928 3/20 0.47
PRKCA P17252 6/20 0.44
POLB P06746 1/20 0.42
GAA P10253 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ACHE P22303 6/20 0.36
ALDH1A1 P00352 1/20 0.34

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
Ammonia Solution, Strong SCHEMBL28726822 0.98 CYP4F2 (0.46) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL1142630 0.93 CYP4F2 (0.50) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL2724991 0.91 CYP4F2 (0.53) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL2533990 0.91 CYP4F2 (0.53) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL2533277 0.91 CYP4F2 (0.53) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL7989588 0.87 POLB (0.46) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL27819169 0.87 POLB (0.46) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL150006 0.85 PRKCA (0.47) CYP4F2CYP4A11PRKCAPOLBGAA
SCHEMBL29049106 0.85 POLB (0.44) CYP4F2CYP4A11PRKCAPOLBGAA
Ammonia Solution, Strong SCHEMBL27804637 0.83 PRKCA (0.45) CYP4F2CYP4A11PRKCAPOLBGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8461135-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2013-06-11 US claimed
US-8039450-B2 Boron-containing small molecules as anti-inflammatory agents ANACOR PHARMACEUTICALS, INC. (US) 2011-10-18 US claimed
US-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF Corsair Pharma, Inc. 2018-06-21 US disclosed
US-9938301-B2 Dihydropyrimido fused ring derivative as HBV inhibitor QILU PHARMACEUTICAL CO., LTD. (CN) 2018-04-10 US disclosed
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR MEDSHINE DISCOVERY INC. (CN) 2017-07-13 US disclosed
CN-102421293-A Substituted nucleoside and nucleotide analogs ALIOS BIOPHARMA INC 2012-04-18 CN disclosed
EP-0711760-B1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL IND LTD (JP) 2002-05-15 EP disclosed
EP-0882720-B1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL IND LTD (JP) 2001-08-22 EP disclosed
US-6130332-A USING A GROUP 8 METAL CATALYST AND ALDEHYDES OR KETONE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-10 US disclosed
US-6127538-A HYDROXYALKYLATION OF A TRIAMINO TRIAZINE DERIVATIVE HAVING AT LEAST ONE REACTIVE NITROGEN BY REACTING WHILE HEATING WITH AN ALKANEDIOL OR ITS ADDUCT IN THE PRESENCE OF HYDROGEN AND A METAL CATALYST; BY-PRODUCT INHIBITION NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2000-10-03 US disclosed
CN-1043896-C Method for synthetizing phosphoroamidate and its mixture from amines in water system by direct phosphorylating UNIV QINGHUA (CN) 1999-06-30 CN disclosed
EP-0882720-A1 METHODS FOR MODIFYING 1,3,5-TRIAZINE DERIVATIVES NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1998-12-09 EP disclosed
US-5792867-A Method of alkylating of triazine derivatives NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 1998-08-11 US disclosed
EP-0760369-A1 PROCESS FOR ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1997-03-05 EP disclosed
EP-0711760-A1 METHOD OF ALKYLATING TRIAZINE DERIVATIVE NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) 1996-05-15 EP disclosed
CN-1095722-A The method of amine direct phosphorylated synthesizing amino phosphoric acid salt and composition thereof in aqueous systems UNIV QINGHUA (CN) 1994-11-30 CN disclosed
US-RE34722-E Antiulcer agents OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-09-06 US disclosed
CN-1079726-A N-phosphorylated thing and synthetic new method thereof UNIV QINGHUA (CN) 1993-12-22 CN disclosed
US-4578381-A ANTIULCER AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1986-03-25 US 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-20180170855-A1 TREPROSTINIL DERIVATIVES AND COMPOSITIONS AND USES THEREOF PTGIS, PTGIR, PDE3A CYP4F2 1433/4885CYP4A11 277/4885PRKCA 409/4885
US-20170197986-A1 DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR TMBIM6, HAVCR2, HDGF CYP4F2 2480/4885CYP4A11 1587/4885PRKCA 4241/4885

“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.