SCHEMBL3776902

SCHEMBL3776902

FC(F)(F)c1c(Cl)ccc2c1ccc1ccccc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 4/20 0.52
CYP2A6 P11509 4/20 0.48
ALDH1A1 P00352 4/20 0.44
MAPT P10636 3/20 0.44
HSD17B10 Q99714 2/20 0.44
TDP1 Q9NUW8 2/20 0.44
LMNA P02545 2/20 0.44
MAPK1 P28482 2/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44
APEX1 P27695 1/20 0.44
PMP22 Q01453 1/20 0.44
PAX8 Q06710 1/20 0.44
CYP1A2 P05177 3/20 0.42
NOTUM Q6P988 1/20 0.40
HIF1A Q16665 2/20 0.39
CYP1B1 Q16678 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HPGD P15428 3/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL3711871 1.00 HPRT1 (0.52) HPRT1CYP2A6ALDH1A1MAPTHSD17B10
SCHEMBL3704184 0.90 CYP2A6 (0.54) HPRT1CYP2A6ALDH1A1MAPTHSD17B10
SCHEMBL3711821 0.78 NOTUM (0.40) CYP2A6ALDH1A1MAPTHSD17B10TDP1
SCHEMBL3764182 0.76 NOTUM (0.39) CYP2A6ALDH1A1MAPTHSD17B10TDP1
SCHEMBL3710212 0.76 NOTUM (0.39) CYP2A6ALDH1A1MAPTHSD17B10TDP1
SCHEMBL11711813 0.74 NR4A2 (0.53) CYP2A6ALDH1A1MAPTHSD17B10TDP1
SCHEMBL2565166 0.74 CYP2A6 (0.78) HPRT1CYP2A6ALDH1A1MAPTHSD17B10
SCHEMBL10982523 0.73 NOTUM (0.39) CYP2A6HSD17B10TDP1MAPK1TSHR
SCHEMBL20590037 0.73 HPRT1 (0.51) HPRT1CYP2A6ALDH1A1MAPTHSD17B10
SCHEMBL25510 0.72 HPRT1 (1.00) HPRT1CYP2A6ALDH1A1MAPTHSD17B10

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 HPRT1 1619/4885CYP2A6 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.