SCHEMBL4425494

SCHEMBL4425494

OCCCCC(O)C(O)CCO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.38
TRPV1 Q8NER1 1/20 0.38
TRPA1 O75762 1/20 0.38
LMNA P02545 3/20 0.34
CYP2D6 P10635 2/20 0.34
SPHK1 Q9NYA1 2/20 0.34
GMNN O75496 1/20 0.34
POLB P06746 1/20 0.34
THPO P40225 1/20 0.34
MTOR P42345 1/20 0.34
BLM P54132 1/20 0.34
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
CETP P11597 1/20 0.34
HTT P42858 1/20 0.34
UBE2N P61088 1/20 0.34
PTPN1 P18031 1/20 0.33

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
SCHEMBL11346601 0.97 TRPV1 (0.42) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL3399170 0.94 TRPV1 (0.41) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL8503320 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL21552377 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL4006613 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL24176357 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL1790073 0.90 TRPV1 (0.39) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL21552219 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL15848372 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6
SCHEMBL5482067 0.90 TRPV1 (0.46) THRBTRPV1TRPA1LMNACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1503763-B1 THERAPEUTIC 1,2,3,6-TETRAHYDROPYRIMIDINE-2-ONE COMPOSITIONS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS LLC (US) 2009-12-02 EP disclosed
US-20080280978-A1 Insect Repellent Compositions NELSON MANDELA METROPOLITAN UNIVERSITY (ZA) 2008-11-13 US disclosed
US-7285534-B2 Corticotropin-releasing hormone analogs and their uses THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2007-10-23 US disclosed
US-6919348-B2 Therapeutic 1,2,3,6-tetrahydropyrimidine-2-one compositions and methods therewith CRAGMONT PHARMACEUTICALS, LLC 2005-07-19 US disclosed
US-20050096275-A1 Novel corticotropin-releasing hormone analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2005-05-05 US disclosed
EP-1503763-A1 THERAPEUTIC 1,2,3,6-TETRAHYDROPYRIMIDINE-2-ONE COMPOSITIONS AND METHODS THEREWITH Cragmont Pharmaceuticals, LLC (US) 2005-02-09 EP disclosed
US-6849600-B2 Corticotropin-releasing hormone analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, BERKELEY (US) 2005-02-01 US disclosed
US-6803359-B2 ADMINISTERING A MEMBER OF THE CORTICOTROPIN- RELEASING HORMONE (CRH) SUPERFAMILY OR ANALOG FOR INHIBITING CANCEROUS TUMOR GROWTH IN MAMMALS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2004-10-12 US disclosed
WO-2003092697-A1 THERAPEUTIC 1,2,3,6-TETRAHYDROPYRIMIDINE-2-ONE COMPOSITIONS AND METHODS THEREWITH CRAGMONT PHARMACEUTICALS, LLC (US) 2003-11-13 WO disclosed
US-20030207851-A1 Therapeutic 1,2,3,6-tetrahydropyrimidine-2-one compositions and methods therewith CRAGMONT PHARMACEUTICALS, LLC 2003-11-06 US disclosed
US-20030186853-A1 Novel corticotropin-releasing hormone analogs THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, OFFICE OF TECHNOLOGY TRANSFER (US) 2003-10-02 US disclosed
EP-1214347-B1 INHIBITION OF ABNORMAL CELL GROWTH WITH CORTICOTROPIN-RELEASING HORMONE ANALOGS UNIV CALIFORNIA (US) 2003-06-04 EP disclosed
US-20020142962-A1 Administering a member of the corticotropin- releasing hormone (CRH) superfamily or analog for inhibiting cancerous tumor growth in mammals THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-10-03 US disclosed
EP-1214347-A2 INHIBITION OF ABNORMAL CELL GROWTH WITH CORTICOTROPIN-RELEASING HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2002-06-19 EP disclosed
US-6319900-B1 ADMINISTERING PEPTIDE ANALOG OF A CORTICOTROPIN-RELEASING HORMONE (CRH) HAVING THE AMINO ACID SEQUENCE OF HUMAN CRH WHEREIN THE 2OTH AMINO ACID FROM N-TERMINUS IS D-AMINO ACID FOR THERAPY OF INFLAMMATORY DEMATOSES PSORIATIC CONDITION THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2001-11-20 US disclosed
WO-2001021191-A2 INHIBITION OF ABNORMAL CELL GROWTH WITH CORTICOTROPIN-RELEASING HORMONE ANALOGS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2001-03-29 WO disclosed
US-5897857-A SULFHYDRYL COMPOUND SELECTED FROM CYSTEINE, HOMOCYCTEINE, GLUTATHIONE, THIOGLYCEROL, THIOMALIC ACID, 2-MERCAPTOETHANOL, MERCAPTOPROPIONIC ACIDS, DITHIOTHREITOL, THIOSALICYLIC ACID, N-ACETYL-L-CYSTEIN AND SALTS; FACIAL HAIR REMOVER THE PROCTER & GAMBLE COMPANY (US) 1999-04-27 US disclosed
US-5869521-A Kappa agonist anti-pruritic pharmaceutical formulations and method of treating pruritus therewith ADOLOR CORPORATION (US) 1999-02-09 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 (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-20030207851-A1 Therapeutic 1,2,3,6-tetrahydropyrimidine-2-one compositions and methods therewith HRH2, HRH4, HRH1 THRB 876/4885TRPV1 12/4885TRPA1 34/4885

“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.