SCHEMBL19169782

SCHEMBL19169782

CC(C)(C)c1nc(-c2ccc3ccccc3c2)c2c(n1)oc1cc(-c3cccc4cc(-c5nc(C(C)(C)C)nc6sc7ccccc7c56)ccc34)ccc12

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ S1PR5 Q9H228 8/20 0.34
▸ S1PR4 O95977 6/20 0.34
▸ ELANE P08246 1/20 0.32
▸ PRKDC P78527 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
SCHEMBL19161629 0.82 ELANE (0.38) ELANEPRKDC
SCHEMBL19161198 0.79 CYP1A2 (0.36) PRKDC
SCHEMBL24474640 0.76 ELANE (0.33) ELANE
SCHEMBL23874684 0.76 ELANE (0.33) ELANE
SCHEMBL26855897 0.73 AHR (0.38) S1PR5S1PR4ELANEPRKDC
SCHEMBL23473798 0.72 ELANE (0.35) ELANEPRKDC
SCHEMBL19169811 0.72 ELANE (0.30) ELANE
SCHEMBL19161963 0.71 ELANE (0.37) ELANE
SCHEMBL25878062 0.71 ALDH1A1 (0.41) —
SCHEMBL19161624 0.70 ELANE (0.39) ELANE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same LG CHEM, LTD. (KR) 2019-07-09 — — US disclosed
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME LG CHEM, LTD. (KR) 2017-07-27 — — 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-10347845-B2 Nitrogen-containing condensed cyclic compound and organic light emitting device using same CRY1, NOS1, NOLC1 S1PR5 4865/4885S1PR4 4839/4885ELANE 2532/4885
US-20170213984-A1 NITROGEN-CONTAINING CONDENSED CYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE USING SAME CRY1, NOS1, NOLC1 S1PR5 4865/4885S1PR4 4839/4885ELANE 2532/4885

“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.

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