SCHEMBL16633486

SCHEMBL16633486

OB(c1ccc2[nH]c3ccccc3c2c1)c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 1/20 0.57
ALDH1A1 P00352 5/20 0.54
HSD17B10 Q99714 2/20 0.54
GPR3 P46089 1/20 0.54
KIF11 P52732 5/20 0.49
KMT2A Q03164 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.49
HPGD P15428 2/20 0.49
GABRP O00591 3/20 0.46
GABRD O14764 3/20 0.46
GABRA1 P14867 3/20 0.46
GABRB1 P18505 3/20 0.46
GABRG2 P18507 3/20 0.46
GABRB3 P28472 3/20 0.46
GABRA5 P31644 3/20 0.46
GABRA3 P34903 3/20 0.46
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46

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
SCHEMBL29362586 0.89 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL802744 0.89 AHR (0.57) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17690367 0.79 MGLL (0.50) AHRALDH1A1HSD17B10GPR3KIF11
Carbazole SCHEMBL28065133 0.79 ALDH1A1 (0.78) AHRALDH1A1HSD17B10GPR3KIF11
Carbazole SCHEMBL30307050 0.79 ALDH1A1 (0.78) AHRALDH1A1HSD17B10GPR3KIF11
Carbazole SCHEMBL9960082 0.79 ALDH1A1 (0.78) AHRALDH1A1HSD17B10GPR3KIF11
Carbazole SCHEMBL28389121 0.79 ALDH1A1 (0.78) AHRALDH1A1HSD17B10GPR3KIF11
Carbazole SCHEMBL29779348 0.79 ALDH1A1 (0.78) AHRALDH1A1HSD17B10GPR3KIF11
Benzene SCHEMBL27963609 0.79 KMT2A (0.47) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL28170244 0.79 KMT2A (0.47) AHRALDH1A1HSD17B10GPR3KIF11

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
EP-2886548-A1 METHOD FOR PRODUCING BORINIC ACID DERIVATIVE, AND NOVEL BORINIC ACID DERIVATIVE Manac Inc. (JP) 2015-06-24 EP disclosed
US-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES MANAC INC. (JP) 2015-04-16 US 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-20150105562-A1 METHOD FOR PREPARING BORINIC ACID DERIVATIVES AND NOVEL BORINIC ACID DERIVATIVES ADORA2B, TPSAB1, ACVR2B AHR 914/4885ALDH1A1 287/4885HSD17B10 879/4885

“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.