SCHEMBL2859342

SCHEMBL2859342

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N1CCCC(C(N)=O)C1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.47
KDM4E B2RXH2 5/20 0.47
MAPK1 P28482 1/20 0.47
GAA P10253 3/20 0.45
HPGD P15428 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
LMNA P02545 1/20 0.44
POLB P06746 3/20 0.42
GRM3 Q14832 1/20 0.41
KDM2B Q8NHM5 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
GLA P06280 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL2868820 0.89 SMN1; SMN2 (0.47) ALDH1A1MAPK1GAAHPGDSMN1; SMN2
SCHEMBL2865742 0.88 GRM3 (0.49) ALDH1A1KDM4EMAPK1GAAHPGD
SCHEMBL2860175 0.86 GRM3 (0.52) ALDH1A1KDM4EMAPK1GAAHPGD
SCHEMBL2866292 0.84 GRM3 (0.42) ALDH1A1KDM4EMAPK1GAAHPGD
SCHEMBL2862037 0.81 SMN1; SMN2 (0.41) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL2856092 0.80 SMN1; SMN2 (0.47) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL2858385 0.80 MAPT (0.55) ALDH1A1KDM4EGAASMN1; SMN2POLB
SCHEMBL2866392 0.79 FKBP1A (0.50) ALDH1A1KDM4EGAAHPGDSMN1; SMN2
SCHEMBL2866216 0.79 SMN1; SMN2 (0.40) ALDH1A1GAAHPGDSMN1; SMN2LMNA
SCHEMBL2867310 0.77 KDM4E (0.44) ALDH1A1KDM4EGAAPOLBMEN1

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-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP claimed
EP-1642880-B1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KIRIN CO LTD (JP) 2013-09-04 EP disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-10-01 US disclosed
US-7538224-B2 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-05-26 US disclosed
US-20070032532-A1 Hsp90 family protein inhibitors KYOWA HAKKO KOGYO CO., LTD. (JP) 2007-02-08 US disclosed
EP-1642880-A1 HSP90 FAMILY PROTEIN INHIBITORS KYOWA HAKKO KOGYO CO., LTD. (JP) 2006-04-05 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 (2 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-20070032532-A1 Hsp90 family protein inhibitors HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885KDM4E 2968/4885MAPK1 708/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885KDM4E 2968/4885MAPK1 708/4885

“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.