SCHEMBL657242

SCHEMBL657242

Oc1ccc(NC2CCOCC2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.44
GAA P10253 2/20 0.42
LMNA P02545 2/20 0.42
ALDH1A1 P00352 2/20 0.40
PLK4 O00444 1/20 0.39
EPHX1 P07099 1/20 0.39
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
RORC P51449 1/20 0.38
LRRK2 Q5S007 1/20 0.37
POLB P06746 2/20 0.37
MAPT P10636 1/20 0.37
S1PR1 P21453 2/20 0.35
OPRL1 P41146 1/20 0.35
MERTK Q12866 1/20 0.35
PARP14 Q460N5 1/20 0.35
MEN1 O00255 1/20 0.35
BLM P54132 1/20 0.35

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
SCHEMBL3720122 0.81 EPHX1 (0.55) MAPK1GAALMNAALDH1A1EPHX1
SCHEMBL657807 0.81 EPHX1 (0.50) MAPK1GAALMNAALDH1A1EPHX1
SCHEMBL23247149 0.80 PLK4 (0.54) MAPK1GAALMNAPLK4EPHX1
SCHEMBL657241 0.80 LMNA (0.45) MAPK1GAALMNAPLK4HDAC3
SCHEMBL488077 0.80 MAPK1 (0.44) MAPK1LMNAPLK4POLBOPRL1
SCHEMBL178453 0.80 MAPK1 (0.53) MAPK1GAALMNAPLK4RORC
SCHEMBL18129725 0.80 KDM1A (0.51) MAPK1LMNAALDH1A1PLK4EPHX1
SCHEMBL632436 0.79 MAPK1 (0.52) MAPK1LMNAALDH1A1PLK4RORC
SCHEMBL2466559 0.79 EPHX1 (0.58) MAPK1GAALMNAALDH1A1EPHX1
SCHEMBL6120734 0.78 TDP1 (0.49) LMNAHDAC3HDAC1HDAC2HDAC6

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 5 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-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 MAPK1 1237/4885GAA 369/4885LMNA 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.