SCHEMBL4386612

SCHEMBL4386612

CCc1c(O)cc(O)c(-c2ccccc2)c1CCC(CO)CO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.40
ESR2 Q92731 2/20 0.40
GCGR P47871 3/20 0.39
POLB P06746 2/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
USP7 Q93009 2/20 0.36
PDE4B Q07343 3/20 0.35
PDE4A P27815 2/20 0.35
PDE4C Q08493 2/20 0.35
PDE4D Q08499 2/20 0.35
TRPA1 O75762 1/20 0.35
BACE1 P56817 2/20 0.33
CNR2 P34972 1/20 0.33
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HKDC1 Q2TB90 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL4387415 0.92 GCGR (0.40) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4386201 0.86 ESR1 (0.38) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4381518 0.85 GCGR (0.39) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4387537 0.85 ESR1 (0.37) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4387388 0.84 ESR1 (0.44) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4386943 0.81 ESR1 (0.42) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4388350 0.80 ESR1 (0.41) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4388332 0.78 CNR2 (0.40) ESR1ESR2GCGRPOLBRECQL
SCHEMBL4394020 0.78 CNR2 (0.40) ESR1ESR2POLBRECQLSMN1; SMN2
SCHEMBL4392407 0.78 CYP1A2 (0.36) ESR1ESR2GCGRPOLBRECQL

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 ESR1 610/4885ESR2 1033/4885GCGR 263/4885

“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.