SCHEMBL3764182

SCHEMBL3764182

FC(F)(F)c1c(Cl)ccc2cc3cc4cc5ccccc5cc4cc3cc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 2/20 0.39
CYP2A6 P11509 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HIF1A Q16665 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CYP1B1 Q16678 1/20 0.38
CYP3A4 P08684 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
CASP7 P55210 1/20 0.35
HBB P68871 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33

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
SCHEMBL3710212 1.00 NOTUM (0.39) NOTUMCYP2A6ALDH1A1HIF1AHSD17B10
SCHEMBL3711821 0.98 NOTUM (0.40) NOTUMCYP2A6ALDH1A1HIF1AHSD17B10
SCHEMBL3704184 0.81 CYP2A6 (0.54) NOTUMCYP2A6ALDH1A1HIF1AHSD17B10
SCHEMBL19497672 0.78 ALDH1A1 (0.39) CYP2A6ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL3711871 0.76 HPRT1 (0.52) NOTUMCYP2A6ALDH1A1HIF1AHSD17B10
SCHEMBL3776902 0.76 HPRT1 (0.52) NOTUMCYP2A6ALDH1A1HIF1AHSD17B10
SCHEMBL5027727 0.75 CYP2A6 (0.61) CYP2A6ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL27740071 0.75 CYP2A6 (0.61) CYP2A6ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL3240223 0.74 CYP2A6 (0.52) CYP2A6ALDH1A1HIF1AHSD17B10CYP1B1
SCHEMBL15203013 0.74 ALDH1A1 (0.40) CYP2A6ALDH1A1HIF1AHSD17B10CYP1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2460789-B1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL CO (JP) 2017-04-19 EP disclosed
US-9079830-B2 Method for producing biaryl compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2015-07-14 US disclosed
EP-2460789-A1 METHOD FOR PRODUCING BIARYL COMPOUND Sumitomo Chemical Company, Limited (JP) 2012-06-06 EP disclosed
US-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2012-05-17 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-20120123154-A1 METHOD FOR PRODUCING BIARYL COMPOUND AKR7A2, AOC2, CBR1 NOTUM 2398/4885CYP2A6 47/4885ALDH1A1 35/4885

“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.