SCHEMBL4592773

SCHEMBL4592773

C=CCc1cc(CC#N)c2cc(OC)ccc2c1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.58
ALDH1A1 P00352 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ALOX12 P18054 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
FFAR4 Q5NUL3 1/20 0.43
MTNR1A P48039 5/20 0.40
PKM P14618 1/20 0.36
PPARG P37231 1/20 0.36
PPARD Q03181 1/20 0.36
PPARA Q07869 1/20 0.36
HTR2A P28223 1/20 0.36
PTGS2 P35354 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL4593009 0.82 HTR2C (0.57) HTR2CTSHRMTNR1APKMHTR2A
SCHEMBL4593095 0.77 HTR2A (0.40) HTR2CTSHRMTNR1APKMHTR2A
SCHEMBL19799069 0.75 PKM (0.39) TP53TSHRSMN1; SMN2MTNR1APKM
SCHEMBL616083 0.74 ALDH1A1 (0.69) HTR2CALDH1A1TP53CYP3A4ALOX15
SCHEMBL989652 0.74 HTR2A (0.58) HTR2CMTNR1AHTR2A
SCHEMBL28070559 0.74 HTR2A (0.58) HTR2CMTNR1AHTR2A
SCHEMBL30449882 0.74 HTR2A (0.58) HTR2CMTNR1AHTR2A
SCHEMBL13523863 0.72 MAOB (0.49) MTNR1A
SCHEMBL5179342 0.71 PDE10A (0.50) CYP3A4HTR2APDE10A
SCHEMBL1448749 0.71 PTGS1 (0.53) TP53CYP3A4TSHRSMN1; SMN2PKM

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900723-A1 New naphthalene derivatives, method of preparing same and pharmaceutical compositions containing them Les Laboratoires Servier (FR) 2008-03-19 EP disclosed
US-20080004348-A1 Naphthalene compounds LES LABORATOIRES SERVIER (FR) 2008-01-03 US disclosed
WO-2008000969-A1 NOVEL NAPHTHALENIC DERIVATIVES, METHOD FOR THE PREPARATION THEREOF, AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LES LABORATOIRES SERVIER (FR) 2008-01-03 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 (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-20080004348-A1 Naphthalene compounds MTNR1A, MTNR1B, CNR1 HTR2C 53/4885ALDH1A1 658/4885TP53 3759/4885

“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.