SCHEMBL540518

SCHEMBL540518

CCCOc1ccc(C2(CC)NC(=O)NC2=O)cc1

nearest known ligand 0.61

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
TNF P01375 1/20 0.43
MMP2 P08253 2/20 0.43
MMP3 P08254 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
MMP9 P14780 1/20 0.43
TSHR P16473 1/20 0.43
MMP13 P45452 1/20 0.42
PIM1 P11309 1/20 0.42
PIM2 Q9P1W9 1/20 0.42
MMP8 P22894 1/20 0.41
MMP14 P50281 1/20 0.41
MMP17 Q9ULZ9 1/20 0.41

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
SCHEMBL542857 0.83 TNF (0.50) TNFMMP2MMP13
SCHEMBL542606 0.81 MEN1 (0.64) ALDH1A1MAPTMMP2MMP3MEN1
SCHEMBL543101 0.79 KDM4E (0.41) TNFMMP2MMP3MEN1KMT2A
SCHEMBL3410690 0.78 ADAM17 (0.60) MMP2MMP3MMP13MMP8MMP14
SCHEMBL20135513 0.78 ADAM17 (0.60) MMP2MMP3MMP13MMP8MMP14
SCHEMBL20135652 0.78 ADAM17 (0.60) MMP2MMP3MMP13MMP8MMP14
SCHEMBL3412312 0.76 ADAM17 (0.44) MMP2MMP3MMP9TSHR
SCHEMBL11092735 0.76 MMP2 (0.51) ALDH1A1MMP2MMP3MMP9TSHR
SCHEMBL3400918 0.76 ADAM17 (0.62) ALDH1A1MAPTMMP2MMP9TSHR
SCHEMBL2191989 0.76 ADAM17 (0.62) ALDH1A1MAPTMMP2MMP9TSHR

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 ALDH1A1 3263/4885MAPT 1116/4885TNF 336/4885

“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.