SCHEMBL542887

SCHEMBL542887

CCC(C)Oc1ccc(C2(C)NC(=O)NC2=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
LMNA P02545 1/20 0.51
ADAM17 P78536 1/20 0.41
MMP2 P08253 3/20 0.39
MMP13 P45452 2/20 0.39
MMP9 P14780 2/20 0.39
MMP3 P08254 1/20 0.39
MMP8 P22894 1/20 0.39
TNKS O95271 1/20 0.39
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
KDM4E B2RXH2 1/20 0.36
ACACB O00763 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
SCHEMBL103835 0.85 LMNA (0.56) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL541337 0.79 MEN1 (0.68) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL542596 0.78 MEN1 (0.63) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL1093175 0.78 MEN1 (0.49) MEN1KMT2ALMNAMMP2MMP13
SCHEMBL539101 0.77 LMNA (0.74) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL542606 0.77 MEN1 (0.64) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL542399 0.77 MEN1 (0.64) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL542522 0.73 MEN1 (0.49) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL543049 0.73 MEN1 (0.52) MEN1KMT2ALMNAADAM17MMP2
SCHEMBL122883 0.72 ACACB (0.45) KMT2AACACB

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 4 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
EP-2098515-B1 SUBSTITUTED CARBINOL COMPOUND KOWA CO (JP) 2012-02-08 EP disclosed
US-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND KOWA COMPANY, LTD. (JP) 2010-03-11 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 (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-20100063119-A1 SUBSTITUTED CARBINOL COMPOUND NR1H2, NR1H3, CYP46A1 MEN1 3926/4885KMT2A 1414/4885LMNA 1674/4885

“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.