SCHEMBL20202041

SCHEMBL20202041

c1ccc(N2c3ccccc3C3(c4ccccc42)c2cccc4c2N2c5c(cccc5C5(c6ccccc6N(c6ccccc6)c6ccccc65)c5cccc3c52)C4(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
THPO P40225 1/20 0.35
MAPK1 P28482 1/20 0.34
ADAMTS5 Q9UNA0 1/20 0.33
EGLN1 Q9GZT9 1/20 0.33
LMNA P02545 3/20 0.32
GAA P10253 2/20 0.32
CES2 O00748 1/20 0.32
BCHE P06276 1/20 0.32
CES1 P23141 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
P2RX1 P51575 1/20 0.31
P2RX3 P56373 1/20 0.31
P2RX4 Q99571 1/20 0.31
P2RX7 Q99572 1/20 0.31

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
SCHEMBL20202043 1.00 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20202046 0.97 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20202038 0.93 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20202037 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15030649 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29833177 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2754763 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19035959 0.88 LMNA (0.36) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20383358 0.86 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL13231436 0.86 ALDH1A1 (0.37) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10787467-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-29 US disclosed
US-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-31 US disclosed
US-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2018-05-31 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-20180148462-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME PKD1, ODC1, PIEZO1 ALDH1A1 562/4885CYP1A2 717/4885CYP3A4 660/4885
US-10787467-B2 Polycyclic compound and organic electroluminescence device including the same PKD1, ODC1, PIEZO1 ALDH1A1 562/4885CYP1A2 717/4885CYP3A4 660/4885

“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.