SCHEMBL20172780

SCHEMBL20172780

CN(c1cccc2ccccc12)c1cccc2c1sc1ccccc12

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.45
GPR3 P46089 1/20 0.41
MAPT P10636 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C19 P33261 1/20 0.39
PARP14 Q460N5 1/20 0.38
DHFR P00374 1/20 0.37
ALOX5 P09917 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
CNR1 P21554 2/20 0.34
CNR2 P34972 2/20 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
SCHEMBL20733887 0.92 GPR3 (0.48) SIGMAR1GPR3MAPTPARP14ALOX5
SCHEMBL20172777 0.85 MAPT (0.39) SIGMAR1GPR3MAPTCYP1A2CYP2D6
SCHEMBL20172866 0.84 GPR3 (0.41) GPR3MAPTCYP1A2CYP2D6PARP14
SCHEMBL20172871 0.83 GPR3 (0.39) GPR3MAPTCYP2D6PARP14ALOX5
SCHEMBL2742930 0.82 GPR3 (0.42) SIGMAR1GPR3MAPTPARP14ALOX5
SCHEMBL20172778 0.81 ALOX5 (0.44) GPR3MAPTCYP1A2PARP14ALOX5
SCHEMBL20172868 0.81 GPR3 (0.38) GPR3MAPTPARP14ALOX5ATM
SCHEMBL19929767 0.81 GPR3 (0.48) SIGMAR1GPR3MAPTPARP14ALOX5
SCHEMBL20172776 0.81 MAPT (0.38) SIGMAR1GPR3MAPTPARP14DHFR
SCHEMBL20650288 0.81 GPR3 (0.41) SIGMAR1GPR3MAPTCYP1A2CYP2D6

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-10651411-B2 Compound and organic light emitting device containing same LG CHEM, LTD. (KR) 2020-05-12 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 (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-20180145272-A1 COMPOUND AND ORGANIC LIGHT EMITTING DEVICE CONTAINING SAME CRY1, CRY2, OR10J3 SIGMAR1 1467/4885GPR3 2049/4885MAPT 754/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SIGMAR1 1467/4885GPR3 2049/4885MAPT 754/4885

“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.