SCHEMBL13251024

SCHEMBL13251024

C[Si](C)(C)c1ccc(-c2cc(-c3ccc(-c4cccc5ccccc45)cc3)c3ccc4c(-c5ccc([Si](C)(C)C)cc5)cc(-c5ccc(-c6cccc7ccccc67)cc5)c5ccc2c3c54)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.48
ENPP3 O14638 1/20 0.48
PPARG P37231 6/20 0.42
PPARA Q07869 6/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2C9 P11712 1/20 0.42
PPARD Q03181 1/20 0.42
CA12 O43570 4/20 0.41
CA9 Q16790 4/20 0.41
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
ATM Q13315 2/20 0.39
HSD17B10 Q99714 2/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 1/20 0.39
MCL1 Q07820 1/20 0.38

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
SCHEMBL13251150 1.00 ENPP1 (0.48) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL10267570 0.94 ENPP1 (0.44) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL13251027 0.91 ENPP1 (0.46) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL13251164 0.91 ENPP1 (0.46) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL13062850 0.89 ENPP1 (0.57) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL29901595 0.87 ENPP1 (0.55) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL2454186 0.87 ENPP1 (0.55) ENPP1ENPP3PPARGPPARACYP2C19
SCHEMBL13251114 0.85 CYP11B1 (0.43) ENPP1ENPP3KDM4EALDH1A1HSD17B10
SCHEMBL13250995 0.85 CYP11B1 (0.43) ENPP1ENPP3KDM4EALDH1A1HSD17B10
SCHEMBL13251004 0.84 ENPP3 (0.38) ENPP1ENPP3CYP2C19CA12CA9

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-8940409-B2 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2015-01-27 US disclosed
US-8940409-B2 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2015-01-27 US disclosed
US-20100164374-A1 Organic light emitting material and organic light emitting device using the same LG DISPLAY CO., LTD. (KR) 2010-07-01 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-20100164374-A1 Organic light emitting material and organic light emitting device using the same CRY1, L3MBTL4, TMSB4X ENPP1 4668/4885ENPP3 4255/4885PPARG 3071/4885

“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.