SCHEMBL20172886

SCHEMBL20172886

CC(C)c1ccccc1N(C)c1cccc2c1sc1c(F)cccc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
CYP2D6 P10635 2/20 0.31
HRH1 P35367 2/20 0.31
KCNH2 Q12809 2/20 0.31
CHRM1 P11229 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
SCHEMBL20172889 0.85 ALDH1A1 (0.34) SIGMAR1
SCHEMBL20650744 0.85 SIGMAR1 (0.32) SIGMAR1CYP2D6HRH1KCNH2CHRM1
SCHEMBL20172876 0.84 SIGMAR1 (0.35) SIGMAR1
SCHEMBL20172870 0.83 GPR3 (0.37) SIGMAR1CYP2D6HRH1KCNH2CHRM1
SCHEMBL20172920 0.83 P2RX7 (0.35) SIGMAR1
SCHEMBL20172885 0.81 ACHE (0.37)
SCHEMBL21020005 0.81 SIGMAR1 (0.33) SIGMAR1CYP2D6
SCHEMBL20172936 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL20172906 0.81 SIGMAR1 (0.33) SIGMAR1
SCHEMBL20172895 0.80 ALDH1A1 (0.38) SIGMAR1

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 SIGMAR1 1467/4885CYP2D6 694/4885HRH1 2863/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SIGMAR1 2480/4885CYP2D6 691/4885HRH1 4571/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SIGMAR1 1467/4885CYP2D6 694/4885HRH1 2863/4885

“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.