SCHEMBL15510941

SCHEMBL15510941

Brc1ccc(I)c2cc3ccccc3cc12

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
ALDH1A1 P00352 3/20 0.34
HIF1A Q16665 1/20 0.34
CYP1B1 Q16678 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NQO1 P15559 1/20 0.34
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
C1R P00736 2/20 0.33
NCEH1 Q6PIU2 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
CYP1A2 P05177 1/20 0.31
NQO2 P16083 1/20 0.30

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
SCHEMBL1957000 0.86 CYP2A6 (0.48) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL30805630 0.86 CYP2A6 (0.48) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL15511865 0.86 ALDH1A1 (0.43) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL31037118 0.77 RXFP1 (0.39) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL1933388 0.77 RXFP1 (0.39) ALDH1A1KDM4EGAAMEN1MAPT
SCHEMBL28118837 0.74 POLB (0.47) CYP2A6HSD17B10MEN1KMT2ACYP1A2
SCHEMBL21360526 0.74 CYP1A2 (0.44) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL28097996 0.74 ALDH1A1 (0.43) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL734973 0.72 CYP2A6 (0.44) CYP2A6ALDH1A1HIF1ACYP1B1HSD17B10
SCHEMBL28769250 0.71 HSP90AA1 (0.38) CYP2A6ALDH1A1MEN1KMT2ARXFP1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9481618-B2 Cyclopolyarylene compound and method of manufacturing same NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2016-11-01 US disclosed
CN-103415495-B Ring polyarylene compounds and preparation method thereof NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2015-09-02 CN disclosed
US-20140066661-A1 CYCLOPOLYARYLENE COMPOUND AND METHOD OF MANUFACTURING SAME NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-03-06 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-20140066661-A1 CYCLOPOLYARYLENE COMPOUND AND METHOD OF MANUFACTURING SAME CYP1B1, CYP51A1, CYP1A1 CYP2A6 60/4885ALDH1A1 166/4885HIF1A 2487/4885

“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.