SCHEMBL10147701

SCHEMBL10147701

Cc1cc(OCc2ccccc2)c(-c2cc(C(=O)O)n[nH]2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.43
MAPT P10636 3/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
XBP1 P17861 1/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PLA2G4B P0C869 1/20 0.40
PPIA P62937 2/20 0.40
MCL1 Q07820 1/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
PPIF P30405 1/20 0.40
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
MAOB P27338 1/20 0.39

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
SCHEMBL657321 0.93 MAPT (0.46) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL10147697 0.91 MAOB (0.43) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL10147694 0.89 HSP90AA1 (0.42) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL10147699 0.88 HSP90AA1 (0.50) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL656618 0.86 MAOB (0.45) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL10147497 0.83 HSP90AA1 (0.52) CYP19A1MAPTMEN1KMT2AHSP90AA1
SCHEMBL656734 0.82 HSP90AA1 (0.43) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL657218 0.81 HSP90AA1 (0.51) CYP19A1MAPTMEN1KMT2ALMNA
SCHEMBL7895631 0.81 HSP90AA1 (0.41) MAPTMEN1KMT2APLA2G4BMCL1
SCHEMBL10147651 0.77 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2APPIA

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 2 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
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US 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 CYP19A1 1582/4885MAPT 84/4885MEN1 3746/4885

“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.