SCHEMBL21364095

SCHEMBL21364095

Cc1ccc(C)c(-c2ccnc(-c3c4ccccc4c(-c4cc(-c5c(C)cccc5C)ccn4)c4ccccc34)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.42
TGFBR1 P36897 3/20 0.40
S1PR4 O95977 2/20 0.40
KMT2A Q03164 3/20 0.36
MEN1 O00255 2/20 0.36
ATM Q13315 1/20 0.36
GRM5 P41594 2/20 0.36
DYRK1A Q13627 1/20 0.34
CYP2C9 P11712 2/20 0.34
CYP2C19 P33261 2/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 1/20 0.34
PTGS2 P35354 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34
CCR8 P51685 1/20 0.34
RECQL P46063 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL21364094 0.90 TGFBR1 (0.40) BRD4TGFBR1S1PR4KMT2AMEN1
SCHEMBL21364027 0.87 GRM5 (0.43) BRD4TGFBR1GRM5CCR1CCR5
SCHEMBL21363952 0.83 TGFBR1 (0.50) BRD4TGFBR1GRM5CYP2C9CYP2C19
SCHEMBL21363956 0.81 GRM5 (0.40) BRD4TGFBR1GRM5CCR1CCR5
SCHEMBL21364026 0.77 TGFBR1 (0.53) BRD4TGFBR1KMT2AMEN1CYP2C19
SCHEMBL21364025 0.74 S1PR4 (0.36) BRD4S1PR4KMT2AMEN1KDM4E
SCHEMBL21364075 0.74 TGFBR1 (0.45) BRD4TGFBR1GRM5CYP2C9CYP2C19
SCHEMBL24104234 0.73 BRD4 (0.50) BRD4TGFBR1GRM5
SCHEMBL23016042 0.73 MEN1 (0.45) TGFBR1KMT2AMEN1ATMCYP2C9
SCHEMBL17173320 0.72 BRD4 (0.41) BRD4TGFBR1GRM5CCR1CCR5

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-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 (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-20190288216-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE LEF1, SLC25A21, EMC2 BRD4 3820/4885TGFBR1 2369/4885S1PR4 4298/4885

“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.