SCHEMBL4387310

SCHEMBL4387310

COCOc1cc(OCOC)cc(C(C(=O)OC)c2ccc(CCC(O)c3ccccc3)o2)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
HDAC1 Q13547 1/20 0.35
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MCHR1 Q99705 1/20 0.34
KMT2A Q03164 3/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
MEN1 O00255 2/20 0.32

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
SCHEMBL5491759 0.88 ALDH1A1 (0.31) ALDH1A1TDP1
SCHEMBL4386955 0.84 HDAC1 (0.38) HDAC1KDM4EALDH1A1HSD17B10KMT2A
SCHEMBL4379090 0.82 KDM4E (0.32) KDM4EALDH1A1SMN1; SMN2GAATDP1
SCHEMBL4379025 0.81 TDP1 (0.32) TDP1
SCHEMBL4392101 0.79
SCHEMBL4382503 0.78 MTNR1A (0.37) MTNR1AMTNR1BALDH1A1KMT2ASMN1; SMN2
SCHEMBL4384296 0.78
SCHEMBL4383946 0.76 ALDH1A1 (0.33) KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL4386272 0.74 MAPT (0.33) KDM4EKMT2AMEN1
SCHEMBL4387307 0.73 ALDH1A1 (0.36) PPARGPPARAHDAC1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538241-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070155813-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-07-05 US disclosed
EP-1704856-A1 HSP90 FAMILY PROTEIN INHIBITOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-09-27 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-20070155813-A1 Hsp90 family protein inhibitors HSP90AB1, HEATR1, HSP90AB2P PPARG 1775/4885PPARA 3100/4885HDAC1 302/4885

“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.