SCHEMBL20172906

SCHEMBL20172906

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

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.33
KIF11 P52732 1/20 0.31
CCR4 P51679 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2C19 P33261 1/20 0.30

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
SCHEMBL20172920 0.88 P2RX7 (0.35) SIGMAR1KIF11
SCHEMBL20172907 0.86 KIF11 (0.35) SIGMAR1KIF11ALDH1A1
SCHEMBL20650240 0.86 SIGMAR1 (0.30) SIGMAR1KIF11
SCHEMBL20172870 0.83 GPR3 (0.37) SIGMAR1ALDH1A1CYP3A4
SCHEMBL20172876 0.82 SIGMAR1 (0.35) SIGMAR1ALDH1A1CYP3A4
SCHEMBL20172909 0.82 GABRA1 (0.37) KIF11ALDH1A1
SCHEMBL20172911 0.81 ALDH1A1 (0.33) KIF11ALDH1A1
SCHEMBL20172912 0.81 ACP1 (0.33) KIF11
SCHEMBL20172886 0.81 SIGMAR1 (0.34) SIGMAR1
SCHEMBL21020011 0.81

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 1467/4885KIF11 3028/4885CCR4 3234/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SIGMAR1 2480/4885KIF11 1480/4885CCR4 1168/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SIGMAR1 1467/4885KIF11 3028/4885CCR4 3234/4885

“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.