SCHEMBL3564545

SCHEMBL3564545

CC(C)=CCc1c(O)ccc(C=O)c1O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.52
TYR P14679 1/20 0.52
HTT P42858 2/20 0.51
MEN1 O00255 1/20 0.51
LMNA P02545 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
KMT2A Q03164 1/20 0.51
PTPN1 P18031 7/20 0.49
DHODH Q02127 1/20 0.49
MAOA P21397 1/20 0.49
PTGS1 P23219 1/20 0.49
MAOB P27338 1/20 0.47
UBE2M P61081 1/20 0.44
RELA Q04206 1/20 0.44
SIRT1 Q96EB6 1/20 0.44

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
SCHEMBL4263088 0.88 MAOB (0.46) CYP19A1TYRHTTMEN1LMNA
SCHEMBL2726887 0.86 ALOX5 (0.58) MEN1LMNAMAPTKMT2APTPN1
SCHEMBL2726891 0.86 ALOX5 (0.58) MEN1LMNAMAPTKMT2APTPN1
SCHEMBL29216338 0.81 TYR (0.58) CYP19A1TYRHTTMEN1LMNA
SCHEMBL29216339 0.81 TYR (0.58) CYP19A1TYRHTTMEN1LMNA
SCHEMBL5517444 0.80 MEN1 (0.53) CYP19A1MEN1LMNAMAPTKMT2A
SCHEMBL3957273 0.80 SRD5A1 (0.45) MEN1MAPTHPGDKMT2A
SCHEMBL16095211 0.79 ERN1 (0.45) TYR
SCHEMBL31545595 0.78 HPGD (0.50) CYP19A1TYRHTTMEN1LMNA
SCHEMBL5513553 0.77 MEN1 (0.65) CYP19A1TYRHTTMEN1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7662826-B2 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD. (JP) 2010-02-16 US disclosed
US-20070092551-A1 Therapeutic agent TAKARA BIO INC. (JP) 2007-04-26 US disclosed
US-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same SHIONOGI & CO., LTD (JP) 2006-04-27 US disclosed
EP-1623704-A1 THERAPEUTIC AGENT TAKARA BIO INC. (JP) 2006-02-08 EP disclosed
EP-1505068-A1 PYRAZOLO (1,5-a) PYRIMIDINE DERIVATIVE AND NAD(P)H OXIDASE INHIBITOR CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2005-02-09 EP disclosed
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones STATENS SERUM INSTITUTE (DK) 2003-04-03 US disclosed
EP-1057825-A1 ISOFLAVANE DERIVATIVES AND IMMUNOPOTENTIATING COMPOSITIONS CONTAINING THE SAME SHIONOGI & CO., LTD. (JP) 2000-12-06 EP disclosed
EP-0996432-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUMINSTITUT (DK) 2000-05-03 EP disclosed
WO-1999000114-A2 BIOLOGICALLY ACTIVE 1,3-BIS-AROMATIC-PROP-2-EN-1-ONES, 1,3-BIS-AROMATIC-PROPAN-1-ONES, AND 1,3-BIS-AROMATIC-PROP-2-YN-1-ONES STATENS SERUM INSTITUT (DK) 1999-01-07 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 (3 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-20060089362-A1 Pyrazolo [1,5-a] pyrimidine derivative and nad (p) h oxidase inhibitor containing the same NADK, PNPO, NQO1 CYP19A1 434/4885TYR 413/4885HTT 4049/4885
US-20030065039-A1 Biologically active 1,3-bis-aromatic-prop-2-en-1-ones, 1,3-bis-aromatic-propan-1-ones, and 1,3-bis-aromatic-prop-2-yn-1-ones AKR1C3, AKR1C1, AKR1A1 CYP19A1 375/4885TYR 196/4885HTT 541/4885
US-20070092551-A1 Therapeutic agent FABP4, GPR119, IAPP CYP19A1 338/4885TYR 2107/4885HTT 538/4885

“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.