SCHEMBL3786685

SCHEMBL3786685

Nc1cc(O)cc(-c2ccccc2N)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
HSD17B10 Q99714 3/20 0.50
ABL1 P00519 2/20 0.48
ABCB1 P08183 2/20 0.48
BCR P11274 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
CA14 Q9ULX7 1/20 0.40
ALOX15 P16050 3/20 0.38
TSHR P16473 1/20 0.38
DHFR P00374 1/20 0.37
IDO1 P14902 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
BRD4 O60885 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL6011422 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10ABL1ABCB1BCR
SCHEMBL6571983 0.80 ALDH1A1 (0.40) ALDH1A1HSD17B10ABL1ABCB1BCR
SCHEMBL29520503 0.78 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1ALOX15TSHR
SCHEMBL5671941 0.78 ALDH1A1 (0.70) ALDH1A1HSD17B10L3MBTL1ALOX15TSHR
SCHEMBL688714 0.78 ALDH1A1 (0.58) ALDH1A1HSD17B10L3MBTL1CA12CA1
SCHEMBL25012067 0.78 ALDH1A1 (0.64) ALDH1A1HSD17B10L3MBTL1TDP1ALOX15
SCHEMBL3785648 0.77 MAOA (0.54) ALDH1A1HSD17B10ABL1ABCB1BCR
SCHEMBL3787036 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1ALOX15DHFR
SCHEMBL3783969 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10L3MBTL1TDP1ALOX15
SCHEMBL3786505 0.76 ALDH1A1 (0.50) ALDH1A1HSD17B10ABL1ABCB1BCR

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 1100/4885ABL1 103/4885

“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.