SCHEMBL21364075

SCHEMBL21364075

Cc1ccccc1-c1cncc(-c2c3ccccc3c(-c3cc(-c4ccccc4C)ccn3)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 2/20 0.45
ALOX5AP P20292 1/20 0.41
FEN1 P39748 1/20 0.41
CYP3A4 P08684 6/20 0.38
CYP2C19 P33261 6/20 0.38
CYP1A2 P05177 6/20 0.38
CYP2D6 P10635 5/20 0.38
CLK4 Q9HAZ1 4/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP2C9 P11712 3/20 0.38
LMNA P02545 3/20 0.38
TP53 P04637 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALOX15 P16050 1/20 0.38
MAPK14 Q16539 2/20 0.36
LCK P06239 1/20 0.36
KDR P35968 1/20 0.36
JAK3 P52333 1/20 0.36
CHRNB1 P11230 1/20 0.36
CHRNB2 P17787 1/20 0.36

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
SCHEMBL21363952 0.89 TGFBR1 (0.50) TGFBR1ALOX5APFEN1CYP3A4CYP2C19
SCHEMBL21364096 0.86 ALOX5AP (0.41) ALOX5APFEN1CYP3A4CYP2C19CYP1A2
SCHEMBL21364026 0.80 TGFBR1 (0.53) TGFBR1CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL21364027 0.75 GRM5 (0.43) TGFBR1CYP1A2ALDH1A1GRM5CYP2A6
SCHEMBL21363956 0.75 GRM5 (0.40) TGFBR1CYP1A2ALDH1A1GRM5CYP2A6
SCHEMBL21364095 0.74 BRD4 (0.42) TGFBR1ALOX5APFEN1CYP3A4CYP2C19
SCHEMBL2189195 0.74 TGFBR1 (0.52) TGFBR1ALOX5APFEN1ALDH1A1MAPK14
SCHEMBL21363954 0.73 CYP2A6 (0.39) ALOX5APFEN1CYP1A2ALDH1A1LMNA
SCHEMBL16526733 0.72 TGFBR1 (0.54) TGFBR1CYP3A4CYP2C19CYP1A2CYP2D6
SCHEMBL21364025 0.71 S1PR4 (0.36) ALOX5APFEN1CYP1A2ALDH1A1LMNA

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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device SAMSUNG DISPLAY CO., LTD. (KR) 2021-10-12 US disclosed
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-09-19 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 (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-11145821-B2 Organic electroluminescence device and polycyclic compound for organic electroluminescence device LEF1, SLC25A21, EMC2 TGFBR1 2369/4885ALOX5AP 3935/4885FEN1 2358/4885
US-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 TGFBR1 2369/4885ALOX5AP 3935/4885FEN1 2358/4885

“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.