SCHEMBL5271894

SCHEMBL5271894

COc1cccc(-c2coc3cc(O)c(Cl)cc3c2=O)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARG P37231 3/20 0.69
▸ PPARD Q03181 2/20 0.69
▸ PPARA Q07869 2/20 0.69
▸ MAPT P10636 7/20 0.63
▸ SMN1; SMN2 Q16637 4/20 0.63
▸ MEN1 O00255 3/20 0.63
▸ KMT2A Q03164 3/20 0.63
▸ RAB9A P51151 6/20 0.58
▸ KLK7 P49862 1/20 0.58
▸ EGFR P00533 2/20 0.56
▸ KDM4E B2RXH2 5/20 0.56
▸ NPC1 O15118 5/20 0.56
▸ ALDH1A1 P00352 3/20 0.56
▸ CYP3A4 P08684 3/20 0.56
▸ HPGD P15428 3/20 0.56
▸ TP53 P04637 3/20 0.56
▸ PTPN1 P18031 1/20 0.56
▸ XDH P47989 1/20 0.54
▸ HDAC6 Q9UBN7 2/20 0.53
▸ HSD17B10 Q99714 3/20 0.51

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
SCHEMBL5272367 0.84 PPARG (0.64) PPARGPPARDPPARAMAPTRAB9A
SCHEMBL14396312 0.84 ABCB1 (0.61) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL5267794 0.84 ALDH2 (0.50) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL5270380 0.83 ALDH2 (0.59) PPARGPPARDPPARAMAPTRAB9A
SCHEMBL4175173 0.82 ALDH1A1 (0.63) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL5271911 0.82 PTPN1 (0.70) PPARGMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL2070726 0.82 PPARG (1.00) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL5267926 0.82 EGFR (0.54) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL30527851 0.82 MAPT (0.70) PPARGPPARDPPARAMAPTSMN1; SMN2
SCHEMBL29085509 0.82 MAPT (0.70) PPARGPPARDPPARAMAPTSMN1; SMN2

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
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
EP-1456180-B1 3-(2,4)DIHYDROXYPHENYL-4-PHENYLPYRAZOLES AND THEIR MEDICAL USE VERNALIS CAMBRIDGE LTD (GB) 2007-10-03 — — EP disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-7247734-B2 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2007-07-24 — — US disclosed
US-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer VERNALIS (CAMBRIDGE) LIMITED (GB) 2005-10-06 — — US disclosed
EP-1456180-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER Vernalis (Oxford) Ltd (GB) 2004-09-15 — — EP disclosed
WO-2003055860-A1 3,4-DIARYLPYRAZOLES AND THEIR USE IN THE THERAPY OF CANCER VERNALIS (CAMBRIDGE) LIMITED (GB) 2003-07-10 — — 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-20050222230-A1 3,4-diarylpyrazoles and their use in the therapy of cancer HSP90AB1, HSP90AA1, HSP90AB2P PPARG 1438/4885PPARD 2510/4885PPARA 2270/4885

“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.

Send feedback