SCHEMBL656915

SCHEMBL656915

CC(C)(C)c1cc(-c2cc(C(=O)O)no2)c(OCc2ccccc2)cc1OCc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 2/20 0.48
RXRA P19793 2/20 0.46
RXRG P48443 2/20 0.46
RXRB P28702 1/20 0.46
MRGPRX4 Q96LA9 1/20 0.44
SMPD1 P17405 1/20 0.43
ALDH1A1 P00352 4/20 0.43
HPGD P15428 3/20 0.43
KDM4E B2RXH2 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HSD17B10 Q99714 1/20 0.43
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ALOX5AP P20292 1/20 0.40
RARA P10276 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
SCHEMBL2942190 0.89 MAPT (0.48) BRD4RXRARXRGRXRBMRGPRX4
SCHEMBL657450 0.88 HPGD (0.50) BRD4SMPD1ALDH1A1HPGDKDM4E
SCHEMBL657721 0.84 BRD4 (0.50) BRD4MRGPRX4SMPD1ALDH1A1HPGD
SCHEMBL656781 0.83 BRD4 (0.49) BRD4RXRASMPD1ALDH1A1HPGD
SCHEMBL1578341 0.83 BRD4 (0.48) BRD4RXRARXRBMRGPRX4SMPD1
SCHEMBL12939160 0.81 MAPT (0.47) BRD4RXRARXRGRXRBSMPD1
SCHEMBL71318 0.81 BRD4 (0.67) BRD4RXRARXRGRXRBSMPD1
SCHEMBL658261 0.81 BRD4 (0.46) BRD4SMPD1ALDH1A1HPGDKDM4E
SCHEMBL12939161 0.80 HPGD (0.48) BRD4SMPD1ALDH1A1HPGDKDM4E
SCHEMBL20427872 0.76 BRD4 (0.49) BRD4MRGPRX4SMPD1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2421833-B1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES SRL (IT) 2015-01-14 EP claimed
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 EP claimed
US-20120046266-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2012-02-23 US claimed
WO-2010121963-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2010-10-28 WO claimed
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
EP-2421833-A1 RESORCINOL DERIVATIVES AS HSP90 INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2012-02-29 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 BRD4 1599/4885RXRA 2953/4885RXRG 2768/4885

“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.