SCHEMBL12744490

SCHEMBL12744490

CCC(C)Nc1ccc(Cl)c(Cl)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 2/20 0.63
SMN1; SMN2 Q16637 2/20 0.63
TP53 P04637 1/20 0.63
HSP90AA1 P07900 1/20 0.63
THRB P10828 1/20 0.63
ALOX15 P16050 1/20 0.63
TSHR P16473 1/20 0.63
CASP1 P29466 1/20 0.63
HIF1A Q16665 1/20 0.63
HSD17B10 Q99714 1/20 0.63
TDP1 Q9NUW8 1/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
MMP8 P22894 1/20 0.47
MMP14 P50281 1/20 0.47
CA14 Q9ULX7 1/20 0.47
LMNA P02545 3/20 0.44
POLB P06746 1/20 0.44
CCR4 P51679 1/20 0.43
EPHX1 P07099 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
SCHEMBL11343088 0.85 ALDH1A1 (0.59) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL10887190 0.84 CCR4 (0.47) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL31453710 0.84 SMN1; SMN2 (0.57) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL10888793 0.83 MMP8 (0.46) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL735232 0.83 MMP8 (0.50) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL27401649 0.82 CYP3A4 (0.49) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL11442742 0.80 MMP8 (0.44) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL4904656 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL4904652 0.80 ALDH1A1 (0.52) ALDH1A1CYP3A4SMN1; SMN2TP53HSP90AA1
SCHEMBL633387 0.79 MMP8 (0.53) ALDH1A1CYP3A4THRBALOX15TSHR

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
WO-2024123663-A1 ANTIMICROBIAL COMPOUNDS SRI INTERNATIONAL (US) 2024-06-13 WO disclosed
US-7923465-B2 CB2 agonists; pain, neurodegenative disorders, eating disorders, weight loss or control, obesity, dyslipidemia, drug abuse, vision defect, neurodegenerative diseases; 5-(2,4-difluorophenyl)-4,5-diazatricyclo[5.2.1.0.sup.2,6.]deca-2-(6),3-dien-3-yl-phenylmethanone; antiinflammatory agent, antidepressant GLENMARK PHARMACEUTICALS S.A. (CH) 2011-04-12 US disclosed
US-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation GLENMARK PHARMACEUTICALS S.A. (CH) 2008-09-25 US 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-20080234259-A1 Novel Cannabinoid Receptor Ligands, Pharmaceutical Compositions Containing Them, and Process For Their Preparation CNR2, CNR1, OPRL1 ALDH1A1 4446/4885CYP3A4 3709/4885SMN1; SMN2 891/4885

“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.