SCHEMBL657376

SCHEMBL657376

COCCOCOc1cc(O)c(C(C)=O)c(OCOCCOC)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.51
USP2 O75604 1/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
POLB P06746 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ABL1 P00519 1/20 0.40
MAPT P10636 1/20 0.40
RECQL P46063 1/20 0.40
RIN1 Q13671 1/20 0.40
CTDSP1 Q9GZU7 1/20 0.40
CTNNB1 P35222 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 1/20 0.39
MAOB P27338 2/20 0.36
F2 P00734 1/20 0.36
ELANE P08246 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.35
PPARD Q03181 1/20 0.34

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
SCHEMBL656327 0.87 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2POLB
SCHEMBL30792317 0.87 CYP3A4 (0.58) CYP3A4USP2MAPK1SMN1; SMN2POLB
SCHEMBL657646 0.82 MAOB (0.46) SMN1; SMN2POLBKDM4EMAPTRECQL
SCHEMBL30350587 0.80 CYP3A4 (0.71) CYP3A4USP2MAPK1SMN1; SMN2POLB
SCHEMBL26481061 0.80 CYP3A4 (0.71) CYP3A4USP2MAPK1SMN1; SMN2POLB
SCHEMBL25223270 0.79 NFKB1 (0.61) CYP3A4USP2MAPK1KDM4EMAPT
SCHEMBL30467145 0.79 NFKB1 (0.61) CYP3A4USP2MAPK1KDM4EMAPT
SCHEMBL25223268 0.79 NFKB1 (0.61) CYP3A4USP2MAPK1KDM4EMAPT
SCHEMBL25221421 0.78 MAPT (0.61) CYP3A4USP2MAPK1KDM4EMAPT
SCHEMBL25221425 0.78 MAPT (0.61) CYP3A4USP2MAPK1KDM4EMAPT

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 6 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
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 CYP3A4 2899/4885USP2 1513/4885MAPK1 1237/4885

“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.