SCHEMBL3790106

SCHEMBL3790106

Nc1ccc(-c2ccccc2)c(CO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.46
DPP4 P27487 1/20 0.45
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
MAOA P21397 1/20 0.43
HSD17B10 Q99714 2/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
BACE1 P56817 2/20 0.41
ALOX5 P09917 1/20 0.41
ALDH1A1 P00352 3/20 0.40
NPC1 O15118 2/20 0.40
CYP19A1 P11511 1/20 0.40
CYP11B1 P15538 1/20 0.40
CYP11B2 P19099 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
TP53 P04637 1/20 0.39
TSHR P16473 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
SCHEMBL3788768 0.89 ALDH1A1 (0.49) PTGDR2PDCD1CD274MAOACYP3A4
SCHEMBL3781954 0.88 CYP3A4 (0.42) PTGDR2HSD17B10CYP3A4TDP1TAAR1
SCHEMBL3781311 0.84 PTGDR2 (0.50) PTGDR2DPP4PDCD1CD274MAOA
SCHEMBL3781497 0.84 DPP4 (0.61) PTGDR2DPP4MAOAHSD17B10CYP3A4
SCHEMBL27656432 0.82 PTGDR2 (0.45) PTGDR2DPP4MAOAHSD17B10CYP3A4
SCHEMBL28084573 0.82 USP7 (0.46) HSD17B10CYP3A4ALDH1A1MAPTTP53
SCHEMBL8729730 0.82 PTGDR2 (0.42) PTGDR2DPP4MAOAHSD17B10CYP3A4
SCHEMBL3787212 0.81 ALDH1A1 (0.48) PTGDR2PDCD1CD274HSD17B10CYP3A4
SCHEMBL5524412 0.81 KDM4E (0.38) MAOAHSD17B10ALDH1A1NPC1KDM4E
SCHEMBL23057561 0.79 DPP4 (0.41) PTGDR2DPP4MAOAHSD17B10CYP3A4

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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY LIMITED (JP) 2010-04-08 US disclosed
EP-1914221-A1 PROCESS FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2008-04-23 EP 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-20100087680-A1 METHOD FOR PRODUCING BIARYL COMPOUND NISCH, BLVRB, BBOX1 PTGDR2 3672/4885DPP4 3267/4885PDCD1 465/4885

“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.