SCHEMBL2858839

SCHEMBL2858839

C=CCOc1cc(OCC=C)c(C(=O)c2cccc(O)c2)c(C(CC)C(=O)O)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
FFAR1 O14842 1/20 0.38
KDM4E B2RXH2 3/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
ADRB3 P13945 1/20 0.35
MAP1LC3B Q9GZQ8 1/20 0.35
MAP1LC3A Q9H492 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
ESR1 P03372 1/20 0.34
CLK1 P49759 1/20 0.33
DYRK1A Q13627 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
MTNR1A P48039 1/20 0.33
HSD17B1 P14061 1/20 0.33

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
SCHEMBL2856160 0.90 ADRB2 (0.38) ALDH1A1FFAR1KDM4EHPGDNPC1
SCHEMBL2867272 0.89 KDM4E (0.39) ALDH1A1FFAR1KDM4ENPC1RAB9A
SCHEMBL2866472 0.87 ALDH1A1 (0.37) ALDH1A1FFAR1KDM4EHPGDNPC1
SCHEMBL2857257 0.87 ALDH1A1 (0.37) ALDH1A1FFAR1KDM4EHPGDNPC1
SCHEMBL2860150 0.85 KDM4E (0.46) ALDH1A1KDM4ERAB9APOLBHSD17B2
SCHEMBL2862952 0.85 KDM4E (0.36) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL5493553 0.85 MAPT (0.48) ALDH1A1FFAR1KDM4EHPGDNPC1
SCHEMBL2865481 0.84 KDM4E (0.45) ALDH1A1KDM4ENPC1RAB9ASMN1; SMN2
SCHEMBL2856378 0.84 FLT3 (0.44) ALDH1A1KDM4EHPGDNPC1RAB9A
SCHEMBL2858356 0.82 RAB9A (0.41) ALDH1A1FFAR1KDM4ENPC1RAB9A

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 6 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
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 2940/4885FFAR1 2098/4885KDM4E 2968/4885
US-20090247522-A1 Hsp90 FAMILY PROTEIN INHIBITORS HSP90AB1, HSP90B1, HSP90AB2P ALDH1A1 2940/4885FFAR1 2098/4885KDM4E 2968/4885

“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.