SCHEMBL20172777

SCHEMBL20172777

CN(c1cc2ccccc2c2ccccc12)c1cccc2c1sc1ccccc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
ALOX5 P09917 1/20 0.37
GPR3 P46089 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
ATM Q13315 1/20 0.36
PARP14 Q460N5 1/20 0.35
SIGMAR1 Q99720 1/20 0.34
ALDH1A1 P00352 5/20 0.33
RAB9A P51151 2/20 0.33
KDM4E B2RXH2 1/20 0.33
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
CYP1A2 P05177 2/20 0.32
HPGD P15428 2/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TRPM4 Q8TD43 1/20 0.32
TNKS O95271 1/20 0.31
TNKS2 Q9H2K2 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
SCHEMBL20733887 0.86 GPR3 (0.48) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL18841419 0.85 ALOX5 (0.38) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL22155821 0.85 ALOX5 (0.38) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL20172780 0.85 SIGMAR1 (0.45) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL22669907 0.81 ALOX5 (0.35) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL20172866 0.79 GPR3 (0.41) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL20172776 0.79 MAPT (0.38) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL22671151 0.79 ALOX5 (0.42) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL14295430 0.79 ALOX5 (0.39) MAPTALOX5GPR3L3MBTL1ATM
SCHEMBL14295434 0.79 ALOX5 (0.39) MAPTALOX5GPR3L3MBTL1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 US disclosed
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME LG CHEM, LTD. (KR) 2019-05-23 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 US disclosed
US-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME LG CHEM, LTD. (KR) 2018-05-24 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 (3 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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 MAPT 754/4885ALOX5 695/4885GPR3 2049/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 MAPT 1486/4885ALOX5 2172/4885GPR3 4628/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 MAPT 754/4885ALOX5 695/4885GPR3 2049/4885

“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.