SCHEMBL18668052

SCHEMBL18668052

O=P(c1ccccc1)(c1ccccc1)c1ccc(-n2c3ccc4ccccc4c3c3c4ccccc4c4ccccc4c32)cc1

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.36
▸ MAPK1 P28482 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ LMNA P02545 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
SCHEMBL18667654 0.85 ALDH1A1 (0.35) MAPK1ALDH1A1CYP1A2THRBHPGD
SCHEMBL17071238 0.85 NPSR1 (0.37) NPSR1
SCHEMBL18667691 0.85 ATM (0.41) MAPK1ALDH1A1CYP1A2THRBHPGD
SCHEMBL17071175 0.84 NPSR1 (0.38) NPSR1LMNA
SCHEMBL18668049 0.83 CYP1A2 (0.35) NPSR1MAPK1ALDH1A1CYP1A2THRB
SCHEMBL19046786 0.83 NPSR1 (0.41) NPSR1MAPK1ALDH1A1HSD17B10LMNA
SCHEMBL18668051 0.82 NPSR1 (0.36) NPSR1MAPK1LMNA
SCHEMBL18668062 0.81 ATM (0.46) MAPK1ALDH1A1CYP1A2THRBHPGD
SCHEMBL22187491 0.81 L3MBTL1 (0.37) ALDH1A1CYP1A2
SCHEMBL20311795 0.80 HPRT1 (0.35) MAPK1ALDH1A1CYP1A2THRBHPGD

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-10421721-B2 Heterocyclic compound and organic light emitting device comprising same LG CHEM, LTD. (KR) 2019-09-24 — — US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 — — US disclosed
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME LG CHEM, LTD. (KR) 2018-02-08 — — US disclosed
WO-2017047992-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME 주식회사 엘지화학 2017-03-23 — — WO 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-10421721-B2 Heterocyclic compound and organic light emitting device comprising same CRY1, CRY2, PER2 NPSR1 3589/4885MAPK1 4452/4885ALDH1A1 486/4885
US-20180037547-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT EMITTING DEVICE COMPRISING SAME CRY1, CRY2, PER2 NPSR1 3589/4885MAPK1 4452/4885ALDH1A1 486/4885

“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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