SCHEMBL7368062

SCHEMBL7368062

COc1ccc(OC)c(CNC(=O)CCCCCCC(=O)C(F)(F)F)c1

nearest known ligand 0.74

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 2/20 0.59
CNR2 P34972 2/20 0.59
ALDH1A1 P00352 1/20 0.54
LMNA P02545 1/20 0.54
TRPV1 Q8NER1 3/20 0.50
EPHX2 P34913 2/20 0.48

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
SCHEMBL7371165 0.82 CNR1 (0.62) CNR1CNR2ALDH1A1TRPV1EPHX2
SCHEMBL7363832 0.80 EPHX2 (0.74) CNR1ALDH1A1EPHX2
SCHEMBL7370758 0.79 EPHX2 (0.55) CNR1CNR2TRPV1EPHX2
SCHEMBL7370090 0.79 ALDH1A1 (0.63) ALDH1A1
SCHEMBL5598110 0.75 PPARG (0.50) CNR1CNR2ALDH1A1LMNA
SCHEMBL30849698 0.74 MTNR1A (0.69) CNR1CNR2ALDH1A1
SCHEMBL7367578 0.74 L3MBTL1 (0.75) CNR1CNR2ALDH1A1LMNA
SCHEMBL7371566 0.72 HDAC3 (0.76) ALDH1A1
SCHEMBL2796059 0.72 HSD17B10 (0.54) CNR1CNR2ALDH1A1
SCHEMBL7372978 0.72 HDAC3 (0.57) ALDH1A1LMNA

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-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US claimed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 CNR1 4370/4885CNR2 4518/4885ALDH1A1 546/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 CNR1 4607/4885CNR2 4785/4885ALDH1A1 302/4885

“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.