SCHEMBL10147482

SCHEMBL10147482

CCOC(=O)C(=O)CC(=O)c1c(OCc2ccccc2)cc(C)cc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 4/20 0.46
MAPT P10636 5/20 0.45
LMNA P02545 2/20 0.45
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
PPIA P62937 2/20 0.43
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RAB9A P51151 2/20 0.41
NPC1 O15118 1/20 0.41
MAOB P27338 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
PPIF P30405 1/20 0.41
ITGA4 P13612 1/20 0.41
ITGB7 P26010 1/20 0.41
PTGES O14684 1/20 0.41

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
SCHEMBL654853 0.94 CYP19A1 (0.46) CYP19A1MAPTLMNAMEN1KMT2A
SCHEMBL10147651 0.84 CYP19A1 (0.53) CYP19A1MAPTMEN1KMT2APPIA
SCHEMBL10147506 0.84 ALDH1A1 (0.46) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL10147677 0.81 ALDH1A1 (0.46) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL7890881 0.81 MAPT (0.47) MAPTMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL658655 0.80 MAPT (0.45) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL10147653 0.80 CYP19A1 (0.47) CYP19A1MAPTLMNAMEN1KMT2A
SCHEMBL656312 0.77 MAOB (0.55) CYP19A1MAPTLMNAMEN1KMT2A
SCHEMBL7891959 0.77 MAPT (0.41) MAPTLMNAMEN1KMT2AALDH1A1
SCHEMBL656975 0.76 MAPT (0.40) MAPTLMNAMEN1KMT2AALDH1A1

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 84/4885LMNA 3734/4885

“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.