SCHEMBL21142136

SCHEMBL21142136

CC1(C)c2ccccc2-c2cccc(-c3cccc(-c4ccccc4)c3N)c21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
THRB P10828 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.35
PGR P06401 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MAP4K4 O95819 1/20 0.33
CSF1R P07333 1/20 0.33
FGFR1 P11362 1/20 0.33
PDGFRA P16234 1/20 0.33
LTK P29376 1/20 0.33
KDR P35968 1/20 0.33
MAPK8 P45983 1/20 0.33
CSNK1A1 P48729 1/20 0.33

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
SCHEMBL16615160 0.90 ALDH1A1 (0.44) ALDH1A1HSD17B10THRBTDP1MAPT
SCHEMBL30084636 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10THRBTDP1PGR
SCHEMBL29919652 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10THRBTDP1PGR
SCHEMBL706442 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10THRBTDP1PGR
SCHEMBL23152331 0.87 HSD17B10 (0.41) ALDH1A1HSD17B10THRBTDP1MAPT
SCHEMBL28690824 0.87 ALDH1A1 (0.41) ALDH1A1HSD17B10THRBTDP1MAPT
SCHEMBL29539282 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBTDP1MAPT
SCHEMBL27186510 0.81 ALDH1A1 (0.42) ALDH1A1HSD17B10THRBTDP1MAPT
SCHEMBL3271140 0.81 PGR (0.37) ALDH1A1HSD17B10THRBTDP1PGR
SCHEMBL29236108 0.81 PDK2 (0.40) ALDH1A1HSD17B10PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109863135-B Compound, coating composition comprising the same, organic light emitting device using the same, and method of preparing the same 株式会社LG化学 2022-10-11 CN disclosed
US-11174210-B2 Compound, coating composition comprising same, organic light-emitting device using same and method for preparing same LG CHEM, LTD. (KR) 2021-11-16 US disclosed
EP-3511322-B1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME LG CHEMICAL LTD (KR) 2020-07-01 EP disclosed
US-20200055803-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME LG CHEM, LTD. (KR) 2020-02-20 US disclosed
EP-3511322-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME LG Chem, Ltd. (KR) 2019-07-17 EP 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 (2 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-11174210-B2 Compound, coating composition comprising same, organic light-emitting device using same and method for preparing same SEM1, SETDB1, GPS1 ALDH1A1 63/4885HSD17B10 2404/4885THRB 4785/4885
US-20200055803-A1 COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME AND METHOD FOR PREPARING SAME SEM1, SETDB1, GPS1 ALDH1A1 63/4885HSD17B10 2404/4885THRB 4785/4885

“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.