SCHEMBL10147699

SCHEMBL10147699

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.50
HSP90AB1 P08238 3/20 0.50
CYP19A1 P11511 3/20 0.40
FFAR1 O14842 1/20 0.39
AKR1C3 P42330 2/20 0.39
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
MAPT P10636 3/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FAAH O00519 1/20 0.38
ACHE P22303 1/20 0.38
PPIA P62937 2/20 0.37
PPIF P30405 1/20 0.37
PTGES O14684 1/20 0.37
LMNA P02545 2/20 0.36
XBP1 P17861 1/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36

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
SCHEMBL657218 0.94 HSP90AA1 (0.51) HSP90AA1HSP90AB1CYP19A1FFAR1MEN1
SCHEMBL10147694 0.94 HSP90AA1 (0.42) HSP90AA1HSP90AB1CYP19A1FFAR1AKR1C3
SCHEMBL10147701 0.88 CYP19A1 (0.43) HSP90AA1HSP90AB1CYP19A1MEN1KMT2A
SCHEMBL656734 0.87 HSP90AA1 (0.43) HSP90AA1HSP90AB1CYP19A1FFAR1MEN1
SCHEMBL10147496 0.85 HSP90AA1 (0.68) HSP90AA1HSP90AB1CYP19A1AKR1C3MAPT
SCHEMBL10147697 0.85 MAOB (0.43) CYP19A1MEN1KMT2AMAPTCYP2C9
SCHEMBL7893314 0.83 HSP90AA1 (0.51) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL657147 0.81 HSP90AA1 (0.71) HSP90AA1HSP90AB1MEN1KMT2AMAPT
SCHEMBL657321 0.81 MAPT (0.46) CYP19A1MEN1KMT2AMAPTPPIA
SCHEMBL656618 0.80 MAOB (0.45) HSP90AA1CYP19A1MEN1KMT2AMAPT

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 HSP90AA1 2/4885HSP90AB1 1/4885CYP19A1 1582/4885

“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.