SCHEMBL3794284

SCHEMBL3794284

Nc1ccccc1-c1ccccc1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
HSD17B10 Q99714 1/20 0.50
PDCD1 Q15116 1/20 0.44
CD274 Q9NZQ7 1/20 0.44
APOBEC3G Q9HC16 1/20 0.41
ADORA2A P29274 2/20 0.41
HTR2B P41595 1/20 0.41
GPR68 Q15743 1/20 0.41
KCNN4 O15554 1/20 0.41
DPP4 P27487 3/20 0.40
BAZ2B Q9UIF8 3/20 0.40
BAZ2A Q9UIF9 3/20 0.40
BRD4 O60885 1/20 0.40
BRD9 Q9H8M2 1/20 0.40
ALOX15 P16050 2/20 0.39
CYP3A4 P08684 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL3786241 0.85 ALDH1A1 (0.52) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL1221964 0.85 PDCD1 (0.54) PDCD1CD274APOBEC3GADORA2AHTR2B
SCHEMBL3785958 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL3787212 0.82 ALDH1A1 (0.48) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
SCHEMBL3789301 0.81 ALDH1A1 (0.46) ALDH1A1L3MBTL1HSD17B10PDCD1CD274
Isatoic Anhydride SCHEMBL16252 0.80
Isatoic Anhydride SCHEMBL29700086 0.80
SCHEMBL3790601 0.79 ALDH1A1 (0.62) ALDH1A1L3MBTL1HSD17B10DPP4ALOX15
Lithium Ion SCHEMBL10534528 0.78 PDCD1 (0.48) PDCD1CD274APOBEC3GADORA2AHTR2B
Isatoic Anhydride SCHEMBL2565644 0.78 APOBEC3G (0.46) ALDH1A1L3MBTL1HSD17B10PDCD1CD274

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 8 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
CN-1208331-C Di (trialkylbenzotri acid anhydride) devivative for optic communication SAMSUNG ELECTRONICS CO LTD (KR) 2005-06-29 CN disclosed
CN-1176076-C Bis(dialkylmaleimide) derivative and polyetherimide for optical communications formed therefrom 三星电子株式会社 2004-11-17 CN disclosed
CN-1138819-C Bis (trialkyl trimellitic anhydride) derivatives and polyesterimides for optical communications 三星电子株式会社 2004-02-18 CN disclosed
CN-1425660-A Di (trialkylbenzotri acid anhydride) devivative for optic communication SAMSUNG ELECTRONICS CO LTD (KR) 2003-06-25 CN disclosed
CN-1226572-A Bis (trialkyl trimellitic anhydride) derivatives and polyesterimides for optical communications SAMSUNG ELECTRONICS CO LTD (KR) 1999-08-25 CN disclosed
CN-1225359-A Bis(dialkylmaleimide) derivative and polyetherimide for optical communications formed therefrom SAMSUNG ELECTRONICS CO LTD (KR) 1999-08-11 CN 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.