SCHEMBL21364094

SCHEMBL21364094

Cc1ccc(C)c(-c2cc(-c3c4ccccc4c(-c4ccnc(-c5c(C)cccc5C)c4)c4ccccc34)ccn2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 3/20 0.40
KMT2A Q03164 4/20 0.39
MEN1 O00255 2/20 0.39
ATM Q13315 1/20 0.39
BRD4 O60885 1/20 0.37
CYP2C19 P33261 5/20 0.35
CYP1A2 P05177 4/20 0.35
CYP2C9 P11712 3/20 0.35
CYP3A4 P08684 2/20 0.35
RECQL P46063 2/20 0.35
ALDH1A1 P00352 4/20 0.35
CYP2D6 P10635 2/20 0.35
ALOX15 P16050 2/20 0.35
HPGD P15428 2/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR4 O95977 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A4 P31645 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
SCHEMBL21364095 0.90 BRD4 (0.42) TGFBR1KMT2AMEN1ATMBRD4
SCHEMBL21363956 0.87 GRM5 (0.40) TGFBR1BRD4CYP1A2ALDH1A1CCR1
SCHEMBL21364026 0.83 TGFBR1 (0.53) TGFBR1KMT2AMEN1BRD4CYP2C19
SCHEMBL21364027 0.81 GRM5 (0.43) TGFBR1BRD4CYP1A2ALDH1A1CCR1
SCHEMBL23016042 0.79 MEN1 (0.45) TGFBR1KMT2AMEN1ATMCYP2C19
SCHEMBL21363959 0.77 GABRA1 (0.35) TGFBR1BRD4ALDH1A1GRM5
SCHEMBL21363952 0.77 TGFBR1 (0.50) TGFBR1BRD4CYP2C19CYP1A2CYP2C9
SCHEMBL16116376 0.73 CCR1 (0.64) TGFBR1KMT2AMEN1ATMCCR1
SCHEMBL24729161 0.73 CCR1 (0.64) KMT2AMEN1BRD4CYP1A2CCR1
SCHEMBL16526767 0.73 TGFBR1 (0.52) TGFBR1CYP2C19CYP1A2CYP3A4ALDH1A1

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 TGFBR1 2369/4885KMT2A 2133/4885MEN1 1232/4885

“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.