SCHEMBL2866424

SCHEMBL2866424

CCc1c(O)cc(O)c(C(=O)c2ccc(OC)cc2)c1CC(=O)N(CCO)Cc1ccco1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.50
TSHR P16473 3/20 0.47
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
POLB P06746 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 3/20 0.40
KDM4E B2RXH2 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL2859958 0.90 ALOX15 (0.44) MAPTTSHRALDH1A1POLBSMN1; SMN2
SCHEMBL2865677 0.87 MAPT (0.48) MAPTTSHRALDH1A1HPGDNPSR1
SCHEMBL2856124 0.87 HPGD (0.38) MAPTALDH1A1HPGD
SCHEMBL27833610 0.86 MAPT (0.47) MAPTTSHRALDH1A1HPGDNPSR1
SCHEMBL2857173 0.83 HSP90AA1 (0.35) MAPTALDH1A1HPGD
SCHEMBL2858220 0.82 TLR9 (0.36) MAPTHPGD
SCHEMBL2860096 0.81 HPGD (0.34) MAPTHPGDSMN1; SMN2
SCHEMBL2866409 0.80 SIGMAR1 (0.38) MAPTTSHRALDH1A1HPGD
SCHEMBL2861241 0.79 ALDH1A1 (0.45) MAPTTSHRALDH1A1HPGDNPSR1
SCHEMBL2861701 0.78 KMT2A (0.44) TSHRALDH1A1TP53

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 8 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 disclosed
US-7767693-B2 Hsp90 family protein inhibitors KYOWA HAKKO KIRIN CO., LTD. (JP) 2010-08-03 US disclosed
CN-100567242-C Hsp90 family protein blockers KYOWA HAKKO KOGYO KK (JP) 2009-12-09 CN 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
CN-1791568-A Hsp90 family protein inhibitors KYOWA HAKKO KOGYO KK (JP) 2006-06-21 CN 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 MAPT 1791/4885TSHR 1356/4885ALDH1A1 2940/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P MAPT 1791/4885TSHR 1356/4885ALDH1A1 2940/4885

“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.