SCHEMBL13638172

SCHEMBL13638172

O=Cc1cccc(-c2ccc(C=O)cc2Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
ALDH1A3 P47895 3/20 0.46
TRIM24 O15164 1/20 0.45
TRIM33 Q9UPN9 1/20 0.45
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
DYRK3 O43781 1/20 0.41
CCNT1 O60563 1/20 0.41
CDK9 P50750 1/20 0.41
CDK5 Q00535 1/20 0.41
DYRK1A Q13627 1/20 0.41
CDK5R1 Q15078 1/20 0.41
DYRK2 Q92630 1/20 0.41
DYRK1B Q9Y463 1/20 0.41
BRD4 O60885 1/20 0.41
AXL P30530 1/20 0.40
VCAM1 P19320 1/20 0.40
PTPN11 Q06124 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
SCHEMBL30679643 0.89 ALDH1A1 (0.50) ALDH1A1ALDH1A3VCAM1PTPN11ALDH3A1
SCHEMBL30185446 0.87 ALDH1A1 (0.55) ALDH1A1ALDH1A3TRIM24TRIM33VCAM1
SCHEMBL4035480 0.87 ALDH1A1 (0.55) ALDH1A1ALDH1A3TRIM24TRIM33VCAM1
SCHEMBL30185447 0.87 ALDH1A1 (0.55) ALDH1A1ALDH1A3TRIM24TRIM33VCAM1
SCHEMBL25613984 0.86 ALDH1A1 (0.55) ALDH1A1ALDH1A3TRIM24TRIM33VCAM1
SCHEMBL12577714 0.86 ESR1 (0.51) ALDH1A1TRIM24TRIM33CA12CA1
SCHEMBL4036224 0.85 CYP2A6 (0.52) ALDH1A1TRIM24TRIM33CA12CA1
SCHEMBL25382919 0.82 TYR (0.47) ALDH1A1ALDH1A3CA1CA2CA9
SCHEMBL4080102 0.82 ALDH1A1 (0.43) ALDH1A1ALDH1A3BRD4KMT2AMEN1
SCHEMBL30679637 0.82 RORB (0.49) ALDH1A1ALDH1A3MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615651-B2 Diaryl, dipyridinyl and aryl-pyridinyl derivatives and uses thereof PFIZER INC. (US) 2009-11-10 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 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-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 ALDH1A1 1390/4885ALDH1A3 2454/4885TRIM24 1176/4885

“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.