SCHEMBL20172861

SCHEMBL20172861

CC(C)c1ccccc1N(C)c1cccc2c1oc1c([Si](C)(C)C)cccc12

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.34
HDAC6 Q9UBN7 1/20 0.31
GABRA1 P14867 1/20 0.31
GABRB2 P47870 1/20 0.31
KDM1A O60341 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
SCHEMBL21020272 0.89 SIGMAR1 (0.34) SIGMAR1GABRA1GABRB2KDM1A
SCHEMBL21019995 0.87 SIGMAR1 (0.37) SIGMAR1HDAC6GABRA1GABRB2KDM1A
SCHEMBL20172860 0.86 C1R (0.31) SIGMAR1
SCHEMBL20172795 0.83 GPR55 (0.38) SIGMAR1GABRA1GABRB2
SCHEMBL20172806 0.82 SIGMAR1 (0.37) SIGMAR1GABRA1GABRB2
SCHEMBL20172855 0.82 ALDH1A1 (0.32)
SCHEMBL20172787 0.82 ALOX5 (0.36) SIGMAR1HDAC6GABRA1GABRB2
SCHEMBL20172862 0.81 C1R (0.32)
SCHEMBL21020292 0.80 EGFR (0.36) SIGMAR1
SCHEMBL21021444 0.80 SIGMAR1 (0.33) SIGMAR1HDAC6GABRA1GABRB2

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 1467/4885HDAC6 4573/4885GABRA1 1285/4885
US-20190152919-A1 COMPOUND AND ORGANIC ELECTRONIC ELEMENT COMPRISING SAME OR10J3, ETV6, ESR1 SIGMAR1 2480/4885HDAC6 3886/4885GABRA1 2869/4885
US-10651411-B2 Compound and organic light emitting device containing same CRY1, CRY2, OR10J3 SIGMAR1 1467/4885HDAC6 4573/4885GABRA1 1285/4885

“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.