SCHEMBL4385929

SCHEMBL4385929

CCc1c(O)cc(O)c(-c2cccc(NC(=O)c3ccccc3)c2)c1CCOCC(O)CO

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 4/20 0.42
KCNK9 Q9NPC2 4/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 3/20 0.41
PAX8 Q06710 1/20 0.41
F2R P25116 1/20 0.40
ADORA3 P0DMS8 1/20 0.40
NR1H4 Q96RI1 3/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MAPK1 P28482 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RAB9A P51151 3/20 0.39
PARP1 P09874 1/20 0.39
MAPT P10636 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NLRP3 Q96P20 1/20 0.38

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
SCHEMBL4379845 0.89 HSD17B1 (0.38) MEN1KMT2APOLBNPC1ALDH1A1
SCHEMBL4386295 0.86 CDK8 (0.39)
SCHEMBL4387649 0.85 ALDH1A1 (0.34) ALDH1A1MAPTSMN1; SMN2
SCHEMBL4392407 0.83 CYP1A2 (0.36) POLBTSHRMAPK1SMN1; SMN2
SCHEMBL4383818 0.83 HSD17B1 (0.39) POLBALDH1A1
SCHEMBL4387012 0.81 ESR1 (0.39) TSHRMAPK1
SCHEMBL4382721 0.79 USP7 (0.36) TSHRMAPK1SMN1; SMN2
SCHEMBL4381092 0.78 HSP90AA1 (0.45) MEN1KMT2AMAPTHTT
SCHEMBL4388631 0.78 TSHR (0.46) TSHRMAPK1SMN1; SMN2
SCHEMBL4382891 0.77 USP2 (0.40) POLBALDH1A1SMN1; 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 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 KCNK3 3592/4885KCNK9 1084/4885MEN1 4784/4885

“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.