SCHEMBL4394285

SCHEMBL4394285

CCc1c(O)cc(O)c(-c2ccccc2)c1CCN1CCC(O)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 1/20 0.40
HRH3 Q9Y5N1 2/20 0.40
OPRK1 P41145 6/20 0.39
LTA4H P09960 1/20 0.39
OPRM1 P35372 2/20 0.37
OPRD1 P41143 1/20 0.36
CYP2D6 P10635 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
ALDH1A1 P00352 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
TSHR P16473 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
SCHEMBL4383090 0.78 LTA4H (0.43) LTA4HALDH1A1SPHK1KDM4ECYP3A4
SCHEMBL4392485 0.76 SPHK1 (0.46) HRH3SPHK1
SCHEMBL4387388 0.73 ESR1 (0.44) ESR1ESR2ALDH1A1KDM4ECYP1A2
SCHEMBL4386943 0.71 ESR1 (0.42) ESR1ESR2KDM4ETSHR
SCHEMBL4386612 0.70 ESR1 (0.40) ESR1ESR2KDM4ECYP1A2CYP3A4
SCHEMBL6423692 0.70 ACHE (0.60) KCNA3LTA4HCYP2D6ALDH1A1KDM4E
SCHEMBL5537485 0.70 ACHE (0.60) KCNA3LTA4HCYP2D6ALDH1A1KDM4E
SCHEMBL5534146 0.70 ACHE (0.60) KCNA3LTA4HCYP2D6ALDH1A1KDM4E
SCHEMBL4387542 0.70 ESR1 (0.41) ESR1ESR2KDM4ECYP1A2CYP3A4
SCHEMBL4386191 0.69 POLB (0.42) ESR1ESR2KDM4ECYP1A2CYP3A4

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 KCNA3 3748/4885HRH3 1459/4885OPRK1 4066/4885

“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.