SCHEMBL12640647

SCHEMBL12640647

Bc1ccc(C2=C3C(=O)NC(c4ccc(C)cc4)=C3C(=O)N2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 4/20 0.44
ALDH1A1 P00352 1/20 0.39
HPGD P15428 2/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
ALOX15 P16050 1/20 0.37
CYP2C19 P33261 1/20 0.37
HSD17B10 Q99714 1/20 0.37
NOTUM Q6P988 1/20 0.36
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
LMNA P02545 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
RAB9A P51151 2/20 0.32
NPC1 O15118 1/20 0.32
EGFR P00533 1/20 0.32
MMP2 P08253 1/20 0.31

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
SCHEMBL815442 0.90 PTGS2 (0.50) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL12640542 0.84 FYN (0.41) PTGS2ALDH1A1HPGDHSD17B10NOTUM
SCHEMBL9833136 0.83 PTGS2 (0.47) PTGS2ALDH1A1HPGDMAOAMAOB
SCHEMBL12509934 0.83 PTGS2 (0.45) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL25026520 0.81 ACHE (0.48) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL12640639 0.81 PTGS2 (0.42) PTGS2ALDH1A1MAOAMAOBMMP2
SCHEMBL12577693 0.81 ALDH1A1 (0.48) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL7753950 0.81 CYP2D6 (0.46) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL14614527 0.81 PTGS2 (0.44) PTGS2ALDH1A1HPGDCYP2D6CYP2C9
SCHEMBL16856686 0.81 PTGS2 (0.44) PTGS2ALDH1A1HPGDCYP2D6CYP2C9

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-8273269-B2 Red colour filter composition BASF SE (DE) 2012-09-25 US disclosed
US-20110155973-A1 IMPROVED, RED COLOUR FILTER COMPOSITION BASF SE (DE) 2011-06-30 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-20110155973-A1 IMPROVED, RED COLOUR FILTER COMPOSITION NR2E3, MRPS22, NR2C2 PTGS2 1298/4885ALDH1A1 3868/4885HPGD 2964/4885

“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.