SCHEMBL20202064

SCHEMBL20202064

c1ccc(N2c3ccccc3C3(c4ccccc42)c2ccccc2N(c2ccccc2)c2ccccc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
THPO P40225 1/20 0.44
MAPK1 P28482 1/20 0.41
GAA P10253 2/20 0.41
CES2 O00748 1/20 0.41
BCHE P06276 1/20 0.41
CES1 P23141 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
EGLN1 Q9GZT9 2/20 0.40
ADAMTS5 Q9UNA0 1/20 0.40
HPGD P15428 1/20 0.39
MGLL Q99685 1/20 0.39
PGR P06401 1/20 0.39
ELANE P08246 1/20 0.36
ADRA2A P08913 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
SCHEMBL29776217 0.92 GAA (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2754774 0.92 GAA (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15030648 0.90 PGR (0.45) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15030646 0.90 GAA (0.43) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL15030649 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20202034 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20202038 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL20202037 0.90 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL2754763 0.89 ALDH1A1 (0.41) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL29833177 0.89 ALDH1A1 (0.41) 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11655211-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2023-05-23 US disclosed
US-20210408398-A1 HOLE TRANSPORT MATERIAL, PREPARATION METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DEVICE Wuhan China Star Optoelectronics Semiconductor Display Technology Co., Ltd (CN) 2021-12-30 US disclosed
US-10787467-B2 Polycyclic compound and organic electroluminescence device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2020-09-29 US disclosed
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2019-10-10 US disclosed
US-20190241519-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-08-08 US disclosed
US-20180205019-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-19 US disclosed
US-20180205019-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SAMSUNG DISPLAY CO., LTD. (KR) 2018-07-19 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 (7 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-11655211-B2 Polycyclic compound and organic electroluminescence device including the same CCNA1, CCNT1, CCNL2 ALDH1A1 1260/4885CYP1A2 1102/4885CYP3A4 1339/4885
US-20180205019-A1 ORGANIC ELECTROLUMINESCENCE DEVICE SLC25A21, TOE1, SLCO4C1 ALDH1A1 312/4885CYP1A2 578/4885CYP3A4 798/4885
US-20190312210-A1 ORGANIC ELECTROLUMINESCENCE DEVICE AND POLYCYCLIC COMPOUND FOR ORGANIC ELECTROLUMINESCENCE DEVICE SLCO4C1, SLCO2A1, SLCO1A2 ALDH1A1 569/4885CYP1A2 802/4885CYP3A4 1243/4885
US-20190241519-A1 POLYCYCLIC COMPOUND AND ORGANIC ELECTROLUMINESCENCE DEVICE INCLUDING THE SAME CCNA1, CCNT1, CCNL2 ALDH1A1 1260/4885CYP1A2 1102/4885CYP3A4 1339/4885
US-20210408398-A1 HOLE TRANSPORT MATERIAL, PREPARATION METHOD THEREOF, AND ORGANIC LIGHT-EMITTING DEVICE SLC39A3, SOD1, SLC39A11 ALDH1A1 1569/4885CYP1A2 693/4885CYP3A4 751/4885
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.