SCHEMBL1650895

SCHEMBL1650895

CCCCCCc1cc(-c2sccc2CCCCCC)sc1B(O)O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 7/20 0.43
LPL P06858 6/20 0.37
TRPV1 Q8NER1 1/20 0.37
MGLL Q99685 1/20 0.37
ALOX5 P09917 4/20 0.36
TYR P14679 2/20 0.36
MEN1 O00255 1/20 0.36
TP53 P04637 1/20 0.36
CYP3A4 P08684 1/20 0.36
MAPT P10636 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
GPR35 Q9HC97 2/20 0.34
CYSLTR2 Q9NS75 2/20 0.32
CYSLTR1 Q9Y271 2/20 0.32
PTGS2 P35354 3/20 0.31

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
SCHEMBL12887125 0.83 ALOX5 (0.38) LIPGALOX5TYRMEN1TP53
SCHEMBL16674529 0.81 GPR35 (0.37) LIPGALOX5TYRMEN1TP53
SCHEMBL12729216 0.81 GPR35 (0.37) LIPGALOX5TYRMEN1TP53
SCHEMBL13197213 0.81 GPR35 (0.37) LIPGALOX5TYRMEN1TP53
SCHEMBL30299141 0.80 GPR35 (0.39) LIPGALOX5TYRMEN1TP53
SCHEMBL864657 0.80 GPR35 (0.39) LIPGALOX5TYRMEN1TP53
SCHEMBL3560850 0.80 GPR35 (0.39) LIPGALOX5TYRMEN1TP53
SCHEMBL534209 0.80 GPR35 (0.39) LIPGALOX5TYRMEN1TP53
SCHEMBL15422171 0.80 GPR35 (0.39) LIPGALOX5TYRMEN1TP53
SCHEMBL15724615 0.80 ALOX5 (0.36) LIPGALOX5TYRMEN1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471785-B1 Novel thiophene-based dye and preparation thereof DONGJIN SEMICHEM CO LTD (KR) 2017-04-19 EP disclosed
EP-2471784-B1 Novel thiophene-based dye and preparation thereof DONGJIN SEMICHEM CO LTD (KR) 2015-07-08 EP disclosed
EP-2341107-B1 NOVEL ORGANIC DYE AND METHOD FOR PREPARING SAME DONGJIN SEMICHEM CO LTD (KR) 2014-07-30 EP disclosed
EP-2471785-A1 Novel thiophene-based dye and preparation thereof Dongjin Semichem Co., Ltd. (KR) 2012-07-04 EP disclosed
EP-2471784-A1 Novel thiophene-based dye and preparation thereof Dongjin Semichem Co., Ltd. (KR) 2012-07-04 EP disclosed
EP-2341107-A2 NOVEL ORGANIC DYE AND METHOD FOR PREPARING SAME Dongjin Semichem Co., Ltd. (KR) 2011-07-06 EP disclosed
US-20110094588-A1 NOVEL ORGANIC DYE AND PREPARATION THEREOF DONGJIN SEMICHEM CO., LTD. (KR) 2011-04-28 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-20110094588-A1 NOVEL ORGANIC DYE AND PREPARATION THEREOF KCNC1, DSP, ODC1 LIPG 3728/4885LPL 4262/4885TRPV1 107/4885

“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.