SCHEMBL4396284

SCHEMBL4396284

CCc1c(O)cc(O)c(-c2ccccc2)c1CCCOCC(=O)NCCO

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 7/20 0.40
CNR1 P21554 3/20 0.40
TSHR P16473 1/20 0.39
RECQL P46063 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 1/20 0.35
KDM4E B2RXH2 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
KCNH2 Q12809 1/20 0.35
GAA P10253 1/20 0.34

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
SCHEMBL4387546 0.91 HPGD (0.42) TSHRRECQLALDH1A1KDM4ECYP3A4
SCHEMBL4240306 0.87 CNR2 (0.40) CNR2TSHRRECQLSMN1; SMN2CYP2D6
SCHEMBL4386636 0.84 CNR2 (0.45) CNR2CNR1SMN1; SMN2GAA
SCHEMBL4387022 0.83 CNR2 (0.44) CNR2RECQLSMN1; SMN2KDM4EGAA
SCHEMBL4391973 0.82 CNR2 (0.39) CNR2TSHRRECQLSMN1; SMN2ALDH1A1
SCHEMBL4395152 0.81 CNR2 (0.40) CNR2RECQLSMN1; SMN2ALDH1A1KDM4E
SCHEMBL4380658 0.81 TSHR (0.38) CNR2CNR1TSHRRECQLSMN1; SMN2
SCHEMBL4389478 0.81 CNR2 (0.39) CNR2RECQLSMN1; SMN2KDM4ECYP2D6
SCHEMBL4377963 0.78 CNR2 (0.39) CNR2RECQLSMN1; SMN2
SCHEMBL4386943 0.77 ESR1 (0.42) CNR2TSHRRECQLSMN1; SMN2KDM4E

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 CNR2 1898/4885CNR1 614/4885TSHR 487/4885

“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.