SCHEMBL13855286

SCHEMBL13855286

c1ccc(N(c2ccc(B3OCCO3)cc2)c2c3ccccc3c(N(c3ccccc3)c3ccc(B4OCCO4)cc3)c3ccccc23)cc1

nearest known ligand 0.33

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PKM P14618 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
SCHEMBL13855283 0.97
SCHEMBL17011009 0.81 ALDH1A1 (0.41) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL17250809 0.80 KDM4E (0.30) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4885017 0.75 ALDH1A1 (0.54) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL134731 0.75 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL31142138 0.75 ALDH1A1 (0.46) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL18194207 0.75 KDM4E (0.31) KDM4EALDH1A1CYP1A2CYP3A4CYP2D6
SCHEMBL4265401 0.74 LPL (0.33)
SCHEMBL4260920 0.73 LIPG (0.54)
SCHEMBL476956 0.73 LPL (0.35) ALDH1A1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-9871213-B2 Organic electroluminescent device MERCK PATENT GMBH (DE) 2018-01-16 US disclosed
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE MERCK PATENT GMBH (DE) 2016-11-03 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-9403849-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2016-08-02 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-8674141-B2 Organic electroluminescent device and boric acid and borinic acid derivatives used therein MERCK PATENT GMBH (DE) 2014-03-18 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 US disclosed
US-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN MERCK PATENT GMBH (DE) 2009-05-28 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 (3 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-20090134384-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 KDM4E 3364/4885ALDH1A1 857/4885CYP1A2 3474/4885
US-20160322570-A1 ORGANIC ELECTROLUMINESCENT DEVICE OR10J3, BTD, ERG KDM4E 2795/4885ALDH1A1 1034/4885CYP1A2 3762/4885
US-20150322091-A1 ORGANIC ELECTROLUMINESCENT DEVICE AND BORIC ACID AND BORINIC ACID DERIVATIVES USED THEREIN BTD, ERG, OR10J3 KDM4E 3364/4885ALDH1A1 857/4885CYP1A2 3474/4885

“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.