SCHEMBL542576

SCHEMBL542576

CCCC1(c2ccc3c(c2)OCO3)NC(=O)NC1=O

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 2/20 0.43
NR1H3 Q13133 2/20 0.43
SCN9A Q15858 4/20 0.40
ALDH1A1 P00352 2/20 0.40
KMT2A Q03164 1/20 0.39
AKR1B1 P15121 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL542720 0.92 SCN9A (0.43) NR1H2NR1H3SCN9AKMT2A
SCHEMBL542461 0.92 AKR1B10 (0.40) AKR1B1
SCHEMBL542674 0.89 MAPT (0.44) NR1H2NR1H3SCN9AALDH1A1KMT2A
SCHEMBL542424 0.81 POLB (0.40) NR1H2NR1H3AKR1B1
SCHEMBL102280 0.76 LMNA (0.50) SCN9AALDH1A1KMT2AAKR1B1SLC6A4
SCHEMBL16806666 0.75 MMP14 (0.69) AKR1B1
SCHEMBL20135452 0.74 ADAM17 (0.57)
SCHEMBL20134755 0.74 MMP14 (0.53)
SCHEMBL3655113 0.72 ADAM17 (0.59) ALDH1A1
SCHEMBL1971074 0.71 SMN1; SMN2 (0.50)

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 NR1H2 1/4885NR1H3 2/4885SCN9A 3281/4885

“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.