SCHEMBL3788313

SCHEMBL3788313

Nc1ccccc1-c1cccc(N)c1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
HSD17B10 Q99714 3/20 0.43
PDK2 Q15119 1/20 0.41
CYP3A4 P08684 3/20 0.38
TSHR P16473 3/20 0.38
HPGD P15428 3/20 0.38
KEAP1 Q14145 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
ALOX15 P16050 1/20 0.38
CASP1 P29466 1/20 0.38
CASP7 P55210 1/20 0.38
HSD11B1 P28845 1/20 0.38
IDO1 P14902 4/20 0.37
PTPRC P08575 1/20 0.36
ADORA2A P29274 1/20 0.36
GAA P10253 3/20 0.36
RAB9A P51151 2/20 0.36
MAPT P10636 2/20 0.36
MAPK1 P28482 1/20 0.34

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
SCHEMBL2202986 0.93 ALDH1A1 (0.43) ALDH1A1L3MBTL1HSD17B10PDK2CYP3A4
SCHEMBL28503081 0.88 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10PDK2CYP3A4
SCHEMBL3793637 0.83 ALDH1A1 (0.56) ALDH1A1L3MBTL1HSD17B10PDK2CYP3A4
SCHEMBL22607115 0.82 TSHR (0.44) ALDH1A1L3MBTL1PDK2TSHRSMN1; SMN2
SCHEMBL5794355 0.81 TSHR (0.43) ALDH1A1L3MBTL1HSD17B10PDK2CYP3A4
SCHEMBL3790566 0.78 KIF11 (0.45) ALDH1A1L3MBTL1HSD17B10PDK2CYP3A4
SCHEMBL22607118 0.76 MPL (0.38) ALDH1A1L3MBTL1HSD17B10TSHRALOX15
SCHEMBL19031762 0.76 TSHR (0.67) ALDH1A1HSD17B10PDK2CYP3A4TSHR
SCHEMBL397945 0.76 ALDH1A1 (0.59) ALDH1A1L3MBTL1HSD17B10CYP3A4TSHR
SCHEMBL31607672 0.75 ALDH1A1 (1.00) ALDH1A1L3MBTL1HSD17B10CYP3A4TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5686525-A THIXOTROPIC SCREEN PRINTING INK COMPRISING A HEAT TREATED POLYAMIC ACID SOLUTION OBTAINED BY REACTION OF AROMATIC TETRACARBOXYLIC ACID, DIAMINE AND A MALEIMIDE; RELIEF IMAGES CENTRAL GLASS COMPANY, LTD. (JP) 1997-11-11 US claimed
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 ALDH1A1 4339/4885L3MBTL1 3838/4885HSD17B10 1100/4885

“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.