SCHEMBL20172796

SCHEMBL20172796

Cc1cccc2c1oc1c(N(C)c3ccccc3[Si](C)(C)C)cccc12

nearest known ligand 0.35

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.35
CYP2A6 P11509 2/20 0.31
ALDH1A1 P00352 1/20 0.31
PRKDC P78527 1/20 0.31
CYP1A2 P05177 1/20 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
SCHEMBL20172860 0.89 C1R (0.31)
SCHEMBL20172855 0.88 ALDH1A1 (0.32) CYP2A6ALDH1A1CYP1A2
SCHEMBL20172797 0.86 MCL1 (0.39) MCL1CYP2A6ALDH1A1PRKDCCYP1A2
SCHEMBL20172809 0.84 NPC1 (0.32)
SCHEMBL20650416 0.84 MCL1 (0.34) MCL1CYP2A6ALDH1A1PRKDC
SCHEMBL20172790 0.84 ALOX5 (0.37) ALDH1A1
SCHEMBL21020272 0.82 SIGMAR1 (0.34)
SCHEMBL21020439 0.82 ALOX5 (0.34) CYP1A2
SCHEMBL20172833 0.82 KIF11 (0.31)
SCHEMBL20172844 0.81 ACP1 (0.34) CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 MCL1 1592/4885CYP2A6 499/4885ALDH1A1 87/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MCL1 2135/4885CYP2A6 433/4885ALDH1A1 1103/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MCL1 1592/4885CYP2A6 499/4885ALDH1A1 87/4885

“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.