SCHEMBL541783

SCHEMBL541783

Cc1ccc(COc2ccc(C3(C)NC(=O)NC3=O)cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.59
KMT2A Q03164 1/20 0.59
MMP13 P45452 2/20 0.54
MMP2 P08253 1/20 0.54
LMNA P02545 2/20 0.49
HPGD P15428 1/20 0.47
MAOB P27338 5/20 0.47
PARP10 Q53GL7 1/20 0.46
ALDH1A1 P00352 2/20 0.44
MAPK1 P28482 2/20 0.44
MAPT P10636 1/20 0.44
ADAM17 P78536 2/20 0.43
MAOA P21397 2/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CASP3 P42574 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SENP8 Q96LD8 1/20 0.42

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
SCHEMBL542505 0.88 MEN1 (0.57) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL542696 0.88 MMP13 (0.71) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL9233657 0.88 MMP13 (0.71) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL20134878 0.82 LMNA (0.53) MEN1KMT2AMMP2LMNAALDH1A1
SCHEMBL542561 0.82 LMNA (0.53) MEN1KMT2AMMP2LMNAALDH1A1
SCHEMBL543062 0.82 LMNA (0.60) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL541337 0.80 MEN1 (0.68) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL542606 0.77 MEN1 (0.64) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL542399 0.77 MEN1 (0.64) MEN1KMT2AMMP13MMP2LMNA
SCHEMBL542596 0.76 MEN1 (0.63) MEN1KMT2AMMP13MMP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8168666-B2 Substituted carbinol compound KOWA COMPANY, LTD. (JP) 2012-05-01 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 US disclosed
EP-2098515-A1 SUBSTITUTED CARBINOL COMPOUND Kowa Company. Ltd. (JP) 2009-09-09 EP 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 (2 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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 MEN1 3926/4885KMT2A 1414/4885MMP13 335/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR MEN1 3823/4885KMT2A 2383/4885MMP13 274/4885

“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.