SCHEMBL657807

SCHEMBL657807

Oc1ccc(NC2CCC2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.50
MAPT P10636 3/20 0.48
POLB P06746 2/20 0.48
LMNA P02545 2/20 0.48
GAA P10253 2/20 0.48
S1PR1 P21453 2/20 0.44
MERTK Q12866 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
IDO1 P14902 1/20 0.42
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
MAPK1 P28482 1/20 0.41
BLM P54132 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PDK2 Q15119 1/20 0.40

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
SCHEMBL3720122 0.95 EPHX1 (0.55) EPHX1MAPTPOLBLMNAGAA
SCHEMBL2466559 0.93 EPHX1 (0.58) EPHX1MAPTPOLBLMNAGAA
SCHEMBL16961161 0.88 EPHX1 (0.53) EPHX1MAPTPOLBLMNAGAA
4-Aminophenol SCHEMBL2890947 0.85 GAA (0.53) EPHX1MAPTPOLBLMNAGAA
SCHEMBL28626293 0.83 EPHX1 (0.41) EPHX1MAPTPOLBLMNAGAA
SCHEMBL11526739 0.83 MAPT (0.63) MAPTPOLBLMNAGAANPC1
SCHEMBL2247061 0.81 PDK2 (0.47) EPHX1MAPK1PDK2
SCHEMBL657242 0.81 MAPK1 (0.44) EPHX1MAPTPOLBLMNAGAA
SCHEMBL3400048 0.80 MAPT (0.61) EPHX1MAPTPOLBLMNAGAA
SCHEMBL78145 0.80 MAPT (0.61) EPHX1MAPTPOLBLMNAGAA

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110023297-A SUBSTITUTED HYDANTOIN AND THIOHYDANTOIN DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS 詹森药业有限公司 2019-07-16 CN disclosed
CN-102438988-B Resorcinol derivatives as hsp90 inhibitors NERVIANO MEDICAL SCIENCES SRL 2015-06-24 CN disclosed
US-8993556-B2 Resorcinol derivatives as HSP90 inhibitors NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2015-03-31 US disclosed
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP disclosed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP disclosed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US disclosed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO 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-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS HSP90AB1, HSP90AA1, HSP90AB2P EPHX1 2034/4885MAPT 84/4885POLB 2469/4885

“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.