SCHEMBL7895631

SCHEMBL7895631

CCCCOc1cc(OCCCC)c(-c2cc(C(=O)O)n[nH]2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
TBXA2R P21731 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PLA2G4B P0C869 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
CRHBP P24387 1/20 0.38
CRHR2 Q13324 1/20 0.38
MCL1 Q07820 1/20 0.38
MGLL Q99685 1/20 0.38
HRH2 P25021 1/20 0.38
HRH1 P35367 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL7890883 0.90 MAPT (0.42) HSP90AA1HSP90AB1TBXA2RALDH1A1MEN1
SCHEMBL7890886 0.88 HSP90AA1 (0.44) HSP90AA1HSP90AB1TBXA2RMEN1KMT2A
SCHEMBL7893314 0.86 HSP90AA1 (0.51) HSP90AA1HSP90AB1TBXA2RMEN1KMT2A
SCHEMBL657321 0.84 MAPT (0.46) ALDH1A1MEN1KMT2APLA2G4BMAPT
SCHEMBL7885798 0.82 HSP90AA1 (0.54) HSP90AA1HSP90AB1TBXA2RALDH1A1
SCHEMBL10147701 0.81 CYP19A1 (0.43) HSP90AA1HSP90AB1MEN1KMT2APLA2G4B
SCHEMBL656618 0.78 MAOB (0.45) HSP90AA1ALDH1A1MEN1KMT2AMAPT
SCHEMBL10147697 0.74 MAOB (0.43) ALDH1A1MEN1KMT2AMAPTRAB9A
SCHEMBL7885792 0.74 TBXA2R (0.47) TBXA2RALDH1A1MEN1KMT2AMAPT
SCHEMBL7893313 0.74 HSP90AA1 (0.52) HSP90AA1HSP90AB1TBXA2RMAPTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 HSP90AA1 2/4885HSP90AB1 1/4885TBXA2R 4181/4885

“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.