SCHEMBL4381522

SCHEMBL4381522

C=CCOc1cc(OCC=C)c(-c2nc3ccccc3n2-c2ccccc2)cc1CC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.46
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.40
GSR P00390 1/20 0.39
FGFR1 P11362 1/20 0.38
SIRT2 Q8IXJ6 2/20 0.38
SIRT1 Q96EB6 2/20 0.38
RAB9A P51151 1/20 0.38
ESR1 P03372 3/20 0.38
ESR2 Q92731 3/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 1/20 0.38
HDAC1 Q13547 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 1/20 0.37
PDE10A Q9Y233 1/20 0.37
PRKACA P17612 1/20 0.37
RPS6KB1 P23443 1/20 0.37

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
SCHEMBL18659986 0.77 RECQL (0.63) RECQLMAPK1HTTGSRRAB9A
SCHEMBL13926642 0.77 RECQL (0.56) RECQLMAPK1HTTGSRSIRT2
SCHEMBL4387592 0.76 RECQL (0.55) RECQLMAPK1HTTPOLBGSR
SCHEMBL4384050 0.73 ALDH1A1 (0.45) MAPK1HTTFGFR1RAB9AKDM4E
SCHEMBL804584 0.70 RECQL (0.64) RECQLMAPK1HTTGSRRAB9A
SCHEMBL13085156 0.69 RECQL (0.71) RECQLMAPK1HTTGSRRAB9A
SCHEMBL8023830 0.68 RECQL (0.58) RECQLMAPK1HTTGSRRAB9A
SCHEMBL12854005 0.68 RECQL (0.69) RECQLMAPK1HTTGSRRAB9A
SCHEMBL3473850 0.68 RECQL (0.69) RECQLMAPK1HTTGSRRAB9A
SCHEMBL8010509 0.67 RECQL (0.64) RECQLMAPK1HTTGSRRAB9A

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 RECQL 1489/4885MAPK1 839/4885HTT 538/4885

“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.