SCHEMBL20172875

SCHEMBL20172875

Cc1ccccc1N(C)c1cccc2c1sc1c(C)cccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 3/20 0.35
CYP2A6 P11509 2/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B1 P14061 2/20 0.35
HSD17B2 P37059 2/20 0.35
SIGMAR1 Q99720 2/20 0.33
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
RXFP1 Q9HBX9 1/20 0.32
CHEK1 O14757 1/20 0.31
NEK2 P51955 1/20 0.31
LIMK1 P53667 1/20 0.31
DYRK1A Q13627 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
CYP2D6 P10635 1/20 0.30
CYP2C19 P33261 1/20 0.30
TP53 P04637 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
SCHEMBL20172877 0.87 ACHE (0.37) CYP1A2CYP2A6ALDH1A1NPSR1
SCHEMBL20172885 0.87 ACHE (0.37) CYP1A2CYP2A6ALDH1A1HSD17B1HSD17B2
SCHEMBL20172866 0.87 GPR3 (0.41) CYP1A2CYP2A6ALDH1A1HSD17B1HSD17B2
SCHEMBL21021492 0.87 CHKA (0.36) CYP1A2CYP2A6ALDH1A1SIGMAR1
SCHEMBL21021500 0.86 CYP1A2 (0.38) CYP1A2CYP2A6ALDH1A1HSD17B1HSD17B2
SCHEMBL21020012 0.85 TP53 (0.35) CYP1A2ALDH1A1HSD17B1HSD17B2CYP2D6
SCHEMBL21020006 0.85 SIGMAR1 (0.35) CYP1A2CYP2A6ALDH1A1HSD17B1HSD17B2
SCHEMBL20172909 0.85 GABRA1 (0.37) CYP2A6ALDH1A1HSD17B1HSD17B2MAPK1
SCHEMBL20173217 0.85 ALDH1A1 (0.32) CYP2A6ALDH1A1HSD17B1HSD17B2
SCHEMBL20172878 0.85 GABRA1 (0.37) CYP2A6ALDH1A1HSD17B1HSD17B2

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 CYP1A2 356/4885CYP2A6 499/4885ALDH1A1 87/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 CYP1A2 563/4885CYP2A6 433/4885ALDH1A1 1103/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 CYP1A2 356/4885CYP2A6 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.