SCHEMBL3787771

SCHEMBL3787771

CN(C)c1cccc(-c2ccccc2N)c1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
HSD17B10 Q99714 2/20 0.52
FYN P06241 11/20 0.48
L3MBTL1 Q9Y468 1/20 0.43
NOTUM Q6P988 1/20 0.42
TSHR P16473 1/20 0.42
BRD4 O60885 1/20 0.41
CREBBP Q92793 1/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL21420016 0.84 ALDH1A1 (0.48) ALDH1A1HSD17B10FYNNOTUMTSHR
Cyclohexane SCHEMBL29105459 0.83 FYN (0.44) ALDH1A1HSD17B10FYNNOTUMTSHR
SCHEMBL6572818 0.82 FYN (0.46) ALDH1A1HSD17B10FYNNOTUMTSHR
SCHEMBL12460936 0.81 ALDH1A1 (0.57) ALDH1A1HSD17B10FYNL3MBTL1BRD4
SCHEMBL3785053 0.80 ALDH1A1 (0.45) ALDH1A1HSD17B10FYNL3MBTL1KDM4E
SCHEMBL5162068 0.80 ALDH1A1 (0.71) ALDH1A1HSD17B10L3MBTL1TSHRKDM4E
SCHEMBL1133154 0.79 HTR7 (0.54) ALDH1A1HSD17B10FYNNOTUMTSHR
SCHEMBL3793335 0.79 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1TSHRKDM4E
SCHEMBL26128565 0.78 ALDH1A1 (0.52) ALDH1A1HSD17B10FYNNOTUMTSHR
SCHEMBL30602821 0.77 ALDH1A1 (0.58) ALDH1A1HSD17B10FYNNOTUMTSHR

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 ALDH1A1 4339/4885HSD17B10 1100/4885FYN 390/4885

“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.