SCHEMBL12865508

SCHEMBL12865508

Cc1c(Br)ccc(O)c1-c1c(O)ccc(Br)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 3/20 0.39
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 3/20 0.35
GAA P10253 3/20 0.35
TXNRD1 Q16881 2/20 0.35
MEN1 O00255 2/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
USP2 O75604 1/20 0.35
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
MAPK1 P28482 1/20 0.35
RECQL P46063 1/20 0.35
RAB9A P51151 1/20 0.35
BLM P54132 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
TRPA1 O75762 2/20 0.35
AURKA O14965 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
SCHEMBL17400863 0.82 ERN1 (0.31) ALOX15ALOX12
SCHEMBL1765685 0.81 TRPA1 (0.40) ALOX15ALDH1A1KDM4EGAAMAPK1
SCHEMBL6062069 0.79 ALDH1A1 (0.41) ALOX15ALDH1A1KDM4EGAAPOLB
SCHEMBL5872088 0.79 ALOX15 (0.39) ALOX15ALDH1A1KDM4EGAARECQL
SCHEMBL16815430 0.75 CYP3A4 (0.42) ALOX15ALDH1A1KDM4EGAAMEN1
SCHEMBL2602667 0.75 ESR1 (0.36) ALOX15ALDH1A1KDM4EGAATRPA1
SCHEMBL10157241 0.75 ALOX15 (0.41) ALOX15ALDH1A1KDM4EGAAMAPT
SCHEMBL29979071 0.75 ESR1 (0.36) ALOX15ALDH1A1KDM4EGAATRPA1
SCHEMBL28562792 0.74 KDM4E (0.46) ALOX15ALDH1A1KDM4EGAAMAPT
SCHEMBL29380074 0.73 ALDH1A1 (0.42) ALDH1A1MEN1KMT2AMAPK1TDP1

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-8507669-B2 Optically active dibenzazepine derivatives NIPPON SODA CO., LTD. (JP) 2013-08-13 US disclosed
US-8507669-B2 Optically active dibenzazepine derivatives NIPPON SODA CO., LTD. (JP) 2013-08-13 US disclosed
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-8283501-B2 Optically active 2,2′-biphenol derivative and production method of same NIPPON SODA CO., LTD. (JP) 2012-10-09 US disclosed
US-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2011-02-10 US disclosed
US-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES NIPPON SODA CO., LTD. (JP) 2011-02-10 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 US disclosed
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME NIPPON SODA CO., LTD. (JP) 2010-11-04 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 (2 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-20110034688-A1 OPTICALLY ACTIVE DIBENZAZEPINE DERIVATIVES DRD1, DRD4, DRD2 ALOX15 2229/4885ALDH1A1 935/4885KDM4E 1319/4885
US-20100280284-A1 OPTICALLY ACTIVE 2,2'-BIPHENOL DERIVATIVE AND PRODUCTION METHOD OF SAME SQLE, CYP2J2, CYP24A1 ALOX15 134/4885ALDH1A1 222/4885KDM4E 4539/4885

“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.