SCHEMBL3789543

SCHEMBL3789543

CC(=O)Oc1cccc(N)c1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.50
PTGS2 P35354 4/20 0.50
HSD17B10 Q99714 2/20 0.50
ALDH1A1 P00352 2/20 0.50
HPGD P15428 2/20 0.50
TSHR P16473 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
ESR1 P03372 1/20 0.50
ITGB3 P05106 1/20 0.50
ITGA2B P08514 1/20 0.50
HMGB1 P09429 1/20 0.50
GGT1 P19440 1/20 0.50
PTGS1 P23219 1/20 0.50
BLM P54132 1/20 0.50
NAPRT Q6XQN6 1/20 0.50
MAPK1 P28482 3/20 0.46
ADORA3 P0DMS8 2/20 0.46
ADORA2A P29274 2/20 0.46
ADORA1 P30542 2/20 0.46
LMNA P02545 5/20 0.45

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
SCHEMBL3787196 0.89 MAPK1 (0.41) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL10448806 0.88 KDM4E (0.58) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL3790372 0.86 SMN1; SMN2 (0.43) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL3794675 0.83 PTGS2 (0.46) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL10440074 0.80 KDM4E (0.69) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL362353 0.80 PTGS2 (0.57) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL3789887 0.80 MAPT (0.38) KDM4EHSD17B10ALDH1A1HPGDTDP1
SCHEMBL4565094 0.79 ALDH1A1 (0.43) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL1231281 0.78 PTGS2 (0.55) KDM4EPTGS2HSD17B10ALDH1A1HPGD
SCHEMBL3188087 0.78 KDM4E (0.50) KDM4EPTGS2HSD17B10ALDH1A1HPGD

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 KDM4E 2606/4885PTGS2 3544/4885HSD17B10 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.