SCHEMBL761302

SCHEMBL761302

C[Si](C)(C)c1ccc(N(c2ccc(-c3ccccc3)cc2)c2ccc3c(-c4ccc(-c5cccc6ccccc56)cc4)c4cc(N(c5ccc(-c6ccccc6)cc5)c5ccc([Si](C)(C)C)cc5)ccc4c(-c4ccc(-c5cccc6ccccc56)cc4)c3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 3/20 0.38
ENPP3 O14638 1/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
PPARG P37231 7/20 0.36
PPARA Q07869 7/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
PPARD Q03181 1/20 0.36
MCL1 Q07820 1/20 0.36
ACMSD Q8TDX5 1/20 0.36
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 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
SCHEMBL760843 0.97 ENPP1 (0.39) ENPP1ENPP3CA12CA1CA2
SCHEMBL762139 0.93 ALDH1A1 (0.36) ENPP1ENPP3CA12CA1CA2
SCHEMBL761299 0.90 ENPP1 (0.38) ENPP1ENPP3CA12CA1CA2
SCHEMBL762127 0.88 PTAFR (0.33) CYP2C9CYP2C19KDM4EALDH1A1MAPT
SCHEMBL14516043 0.88 ACHE (0.33) CYP2C9CYP2C19KDM4EALDH1A1MAPT
SCHEMBL760861 0.88 ACHE (0.33) CYP2C9CYP2C19KDM4EALDH1A1MAPT
SCHEMBL14516040 0.88 ACHE (0.33) CYP2C9CYP2C19KDM4EALDH1A1MAPT
SCHEMBL762128 0.87 ESR1 (0.33) GPR84
SCHEMBL24203465 0.87 MCL1 (0.42) ENPP1ENPP3CA12CA1CA2
SCHEMBL24203462 0.87 MCL1 (0.42) ENPP1ENPP3CA12CA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8137823-B2 Anthracene derivatives, process for preparation thereof, and organic electronic light emitting device using the same LG CHEM, LTD. (KR) 2012-03-20 US disclosed
US-20090079334-A1 Novel Anthracene Derivatives, Process for Preparation Thereof, and Organic Electronic Light Emitting Device Using the Same LG CHEM, LTD. (KR) 2009-03-26 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-20090079334-A1 Novel Anthracene Derivatives, Process for Preparation Thereof, and Organic Electronic Light Emitting Device Using the Same XPOT, ALAD, APRT ENPP1 180/4885ENPP3 175/4885CA12 3872/4885

“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.