SCHEMBL542399

SCHEMBL542399

CCCCOc1ccc(C2(C)NC(=O)NC2=O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
LMNA P02545 4/20 0.57
MMP2 P08253 3/20 0.53
MMP3 P08254 2/20 0.53
MMP9 P14780 2/20 0.53
NPC1 O15118 1/20 0.43
MMP13 P45452 2/20 0.43
ADAM17 P78536 1/20 0.42
ALDH1A1 P00352 1/20 0.42
MAPK1 P28482 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MMP8 P22894 1/20 0.42
CRBN Q96SW2 1/20 0.42
NPY1R P25929 1/20 0.42
NPY2R P49146 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
SCHEMBL542606 0.94 MEN1 (0.64) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL541337 0.88 MEN1 (0.68) MEN1KMT2ALMNAMMP2MMP13
SCHEMBL542596 0.81 MEN1 (0.63) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL539101 0.79 LMNA (0.74) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL9233657 0.78 MMP13 (0.71) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL541783 0.77 MEN1 (0.59) MEN1KMT2ALMNAMMP2NPC1
SCHEMBL2437753 0.77 LMNA (0.52) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL542887 0.77 MEN1 (0.54) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL542505 0.76 MEN1 (0.57) MEN1KMT2ALMNAMMP2MMP3
SCHEMBL543049 0.76 MEN1 (0.52) MEN1KMT2ALMNAMMP2MMP9

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 1414/4885LMNA 1674/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR MEN1 3823/4885KMT2A 2383/4885LMNA 1288/4885

“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.