SCHEMBL2399806

SCHEMBL2399806

N#Cc1ccc([B-](c2ccc(C#N)cc2)(c2ccc(C#N)cc2)c2ccc(C#N)cc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CA2 P00918 3/20 0.50
▸ CYP2A6 P11509 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ CA12 O43570 1/20 0.50
▸ CA3 P07451 1/20 0.50
▸ CA6 P23280 1/20 0.50
▸ CA9 Q16790 1/20 0.50
▸ CA14 Q9ULX7 1/20 0.50
▸ TSHR P16473 1/20 0.48
▸ LOXL2 Q9Y4K0 2/20 0.44
▸ MMP3 P08254 1/20 0.44
▸ ENPP2 Q13822 1/20 0.44
▸ MAOA P21397 3/20 0.41
▸ MAOB P27338 3/20 0.41
▸ CA1 P00915 2/20 0.41
▸ CYP11B2 P19099 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ KIF11 P52732 2/20 0.39
▸ MMP2 P08253 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
SCHEMBL20841977 0.90 TSHR (0.59) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL29455304 0.88 TSHR (0.56) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28254092 0.80 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
Water SCHEMBL28189314 0.80 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL45942 0.80 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL2503454 0.80 CA2 (0.69) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL14761843 0.78 CA2 (0.46) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL28829194 0.77 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
SCHEMBL27486388 0.77 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3
Ammonia Solution, Strong SCHEMBL27405382 0.77 CA2 (0.65) CA2CYP2A6ALDH1A1CA12CA3

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-10862038-B2 Compositions comprising at least one polymer and at least one salt, and electroluminescent devices containing said compositions MERCK PATENT GMBH (DE) 2020-12-08 — — US disclosed
US-20180108877-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND MANUFACTURING METHOD THEREOF PIONEER CORPORATION (JP) 2018-04-19 — — US disclosed
US-9882176-B2 Organic electroluminescence device and manufacturing method thereof PIONEER CORPORATION (JP) 2018-01-30 — — US disclosed
US-20170365785-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE SALT, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 — — US disclosed
US-20170365785-A1 COMPOSITIONS COMPRISING AT LEAST ONE POLYMER AND AT LEAST ONE SALT, AND ELECTROLUMINESCENT DEVICES CONTAINING SAID COMPOSITIONS MERCK PATENT GMBH (DE) 2017-12-21 — — US disclosed
US-20140030182-A1 CARBON FILMS PRODUCED FROM IONIC LIQUID CARBON PRECURSORS UT-BATTELLE, LLC (US) 2014-01-30 — — US disclosed
US-8574534-B2 Carbon films produced from ionic liquid carbon precursors UT-BATTELLE, LLC (US) 2013-11-05 — — US disclosed
US-20110229401-A1 Carbon Films Produced from Ionic Liquid Carbon Precursors UT-BATTELLE, LLC (US) 2011-09-22 — — 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-20110229401-A1 Carbon Films Produced from Ionic Liquid Carbon Precursors SCO2, CFB, YBX1 CA2 130/4885CYP2A6 2996/4885ALDH1A1 4535/4885

“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.

Send feedback