SCHEMBL5268587

SCHEMBL5268587

COc1ccc(CC(=O)c2ccc(O)c(C)c2O)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.63
MEN1 O00255 4/20 0.63
KMT2A Q03164 4/20 0.63
NPC1 O15118 4/20 0.63
RAB9A P51151 4/20 0.63
ALDH1A1 P00352 3/20 0.63
HPGD P15428 2/20 0.63
CYP3A4 P08684 1/20 0.63
ATM Q13315 1/20 0.63
P4HB P07237 1/20 0.57
HSP90AA1 P07900 1/20 0.57
USP2 O75604 1/20 0.55
TP53 P04637 1/20 0.55
MAPT P10636 1/20 0.54
HTT P42858 3/20 0.53
PIK3CA P42336 2/20 0.51
SHBG P04278 1/20 0.51
LMNA P02545 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
ERCC1 P07992 1/20 0.47

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
SCHEMBL330362 0.84 SHBG (0.60) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10565256 0.84 MEN1 (0.59) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL10563938 0.82 PIK3CA (0.77) MEN1KMT2ANPC1RAB9AALDH1A1
SCHEMBL1039298 0.82 LMNA (0.67) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL6245947 0.81 MEN1 (0.68) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL10076768 0.81 MEN1 (0.55) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL224762 0.80 NPC1 (0.88) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL29586231 0.79 HSP90AA1 (0.64) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL5267577 0.79 SMN1; SMN2 (0.56) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL17556626 0.78 SMN1; SMN2 (0.58) SMN1; SMN2MEN1KMT2ANPC1RAB9A

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
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
US-4814346-A Benzopyrans and use thereof in treating vascular diseases ZYMA SA (CH) 1989-03-21 US disclosed
EP-0267155-A2 Bicyclic compounds Zyma SA (CH) 1988-05-11 EP 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 SMN1; SMN2 4757/4885MEN1 4797/4885KMT2A 4362/4885

“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.