SCHEMBL4379845

SCHEMBL4379845

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
EGFR P00533 1/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 3/20 0.36
POLB P06746 2/20 0.36
ADRB2 P07550 1/20 0.36
ADRB1 P08588 1/20 0.36
ADRB3 P13945 1/20 0.36
NR4A1 P22736 1/20 0.36
NQO2 P16083 2/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36
ALDH1A1 P00352 2/20 0.36
CYP1A2 P05177 1/20 0.36
DYRK3 O43781 1/20 0.35
CCNT1 O60563 1/20 0.35
CCNA2 P20248 1/20 0.35
CDK2 P24941 1/20 0.35

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
SCHEMBL4386295 0.90 CDK8 (0.39) ADRB2ADRB1ADRB3
SCHEMBL4385929 0.89 KCNK3 (0.42) MEN1KMT2ARAB9APOLBALDH1A1
SCHEMBL4387649 0.88 ALDH1A1 (0.34) EGFRALDH1A1SMN1; SMN2KDM4EMAPT
SCHEMBL4383818 0.86 HSD17B1 (0.39) HSD17B1HSD17B2POLBADRB2ADRB1
SCHEMBL4387012 0.84 ESR1 (0.39) HSD17B1HSD17B2CYP1A2TSHRCYP17A1
SCHEMBL4392407 0.82 CYP1A2 (0.36) POLBCYP1A2TSHRSMN1; SMN2KDM4E
SCHEMBL4382721 0.82 USP7 (0.36) HSD17B1HSD17B2EGFRCYP1A2TSHR
SCHEMBL4381092 0.81 HSP90AA1 (0.45) HSD17B1HSD17B2MEN1KMT2AADRB2
SCHEMBL4388631 0.81 TSHR (0.46) PRMT5WDR77CYP1A2TSHRSMN1; SMN2
SCHEMBL4388418 0.80 TSHR (0.40) ADRB2ADRB1ADRB3ALDH1A1CYP1A2

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 HSD17B1 682/4885HSD17B2 935/4885EGFR 624/4885

“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.