SCHEMBL7896846

SCHEMBL7896846

CCCCOc1cc(OCCCC)c(-c2cc(C(=O)NCC)no2)c(Oc2ccc([N+](=O)[O-])cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 13/20 0.70
HSP90AB1 P08238 11/20 0.70
SMPD1 P17405 1/20 0.46
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
TBXA2R P21731 1/20 0.42
MGLL Q99685 1/20 0.40
TP53 P04637 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
SCHEMBL7896455 0.93 HSP90AA1 (0.61) HSP90AA1HSP90AB1SMPD1NPC1RAB9A
SCHEMBL7885800 0.91 HSP90AA1 (0.69) HSP90AA1HSP90AB1SMPD1NPC1RAB9A
SCHEMBL7885798 0.89 HSP90AA1 (0.54) HSP90AA1HSP90AB1SMPD1TBXA2R
SCHEMBL7892361 0.87 HSP90AA1 (0.55) HSP90AA1HSP90AB1SMPD1NPC1RAB9A
SCHEMBL7893313 0.86 HSP90AA1 (0.52) HSP90AA1HSP90AB1SMPD1RAB9ATBXA2R
SCHEMBL656563 0.86 HSP90AA1 (0.69) HSP90AA1HSP90AB1SMPD1
SCHEMBL7898078 0.85 HSP90AA1 (0.53) HSP90AA1HSP90AB1TBXA2RMGLL
SCHEMBL656349 0.83 HSP90AA1 (1.00) HSP90AA1HSP90AB1
SCHEMBL10147476 0.82 HSP90AA1 (0.68) HSP90AA1HSP90AB1SMPD1KMT2A
SCHEMBL657151 0.78 HSP90AA1 (0.60) HSP90AA1HSP90AB1SMPD1NPC1RAB9A

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 1/4885SMPD1 3924/4885

“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.