SCHEMBL1327892

SCHEMBL1327892

COc1cccc(OC)c1C(=O)NCC1CCC(C(c2cccs2)N(C)C)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.46
ALDH1A1 P00352 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
NPC1 O15118 1/20 0.44
LMNA P02545 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
DRD2 P14416 1/20 0.43
POLB P06746 3/20 0.40
CNR2 P34972 1/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.38
GFER P55789 1/20 0.38
HTR7 P34969 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL1326807 0.89 KDM4E (0.50) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1328432 0.86 CCNA2 (0.43) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1327962 0.86 TDP1 (0.55) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1326616 0.84 L3MBTL1 (0.49) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1327567 0.80 MEN1 (0.55) MEN1KMT2APOLBHPGD
SCHEMBL1328275 0.80 DRD2 (0.42) DRD2POLBCNR2
SCHEMBL1327413 0.79 SMN1; SMN2 (0.41) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL2311720 0.78 MAPK14 (0.43) MEN1KMT2APOLBGAAGFER
SCHEMBL1328153 0.78 POLB (0.49) KDM4EALDH1A1MEN1KMT2ANPC1
SCHEMBL1327714 0.78 MEN1 (0.41) KDM4EALDH1A1MEN1KMT2ANPC1

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-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US claimed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP claimed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 US claimed
US-8058475-B2 Substituted cyclohexylmethyl compounds GRUENENTHAL GMBH (DE) 2011-11-15 US disclosed
EP-1989174-B1 SUBSTITUTED CYCLOHEXYLMETHYL DERIVATIVES GRUENENTHAL GMBH (DE) 2011-08-03 EP disclosed
US-20090286833-A1 Substituted Cyclohexylmethyl Compounds GRUENENTHAL GMBH (DE) 2009-11-19 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-20090286833-A1 Substituted Cyclohexylmethyl Compounds CNR1, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, C1R KDM4E 940/4885ALDH1A1 1333/4885MEN1 1779/4885

“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.