SCHEMBL21019986

SCHEMBL21019986

Cc1ccc(N(C)c2cccc3c2oc2c(C)cccc23)cc1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.36
C5AR1 P21730 1/20 0.36
ALDH1A1 P00352 1/20 0.34
TSHR P16473 1/20 0.34
PRKDC P78527 3/20 0.33
ADORA3 P0DMS8 1/20 0.33
CYP1A2 P05177 2/20 0.33
CYP2A6 P11509 2/20 0.33
CES1 P23141 1/20 0.31
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
MAPT P10636 1/20 0.31
MCOLN3 Q8TDD5 1/20 0.31
DHFR P00374 1/20 0.31
HSD17B1 P14061 1/20 0.30
HSD17B2 P37059 1/20 0.30
ESR2 Q92731 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
SCHEMBL26785712 0.89 MCL1 (0.41) MCL1PRKDCCYP1A2CYP2A6
SCHEMBL21019984 0.88 MCL1 (0.35) MCL1PRKDCCYP1A2CYP2A6CES1
SCHEMBL21019982 0.87 MCL1 (0.34) MCL1PRKDC
SCHEMBL23967875 0.85 MCL1 (0.33) MCL1PRKDC
SCHEMBL21021023 0.85 MCL1 (0.33) MCL1TSHRPRKDC
SCHEMBL21021025 0.85 DHFR (0.34) MCL1PRKDCDHFR
SCHEMBL21021022 0.85 EGFR (0.38) MCL1PRKDC
SCHEMBL21019985 0.84 ABCG2 (0.39) MCL1ALDH1A1PRKDCCYP2A6MAPT
SCHEMBL21019983 0.84 TNKS (0.34) MCL1PRKDCCYP1A2CYP2A6
SCHEMBL21021049 0.84 C5AR1 (0.33) C5AR1ALDH1A1TSHRDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 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-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MCL1 2135/4885C5AR1 4409/4885ALDH1A1 1103/4885

“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.