SCHEMBL20967446

SCHEMBL20967446

O=P(c1ccccc1)(c1ccccc1)c1cccc(-c2ccc(-c3nc(-c4cccc(F)c4)nc(-c4cccc(F)c4)n3)cc2)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TAAR1 Q96RJ0 2/20 0.46
▸ DPP4 P27487 1/20 0.43
▸ ESR2 Q92731 1/20 0.42
▸ ABCG2 Q9UNQ0 3/20 0.40
▸ NT5E P21589 2/20 0.40
▸ ABCC1 P33527 1/20 0.39
▸ CYP17A1 P05093 1/20 0.39
▸ CYP3A4 P08684 1/20 0.39
▸ CYP11B1 P15538 1/20 0.39
▸ CYP11B2 P19099 1/20 0.39
▸ DHODH Q02127 1/20 0.39
▸ HPGDS O60760 1/20 0.38

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
SCHEMBL20967320 0.96 TOP1 (0.42) TAAR1DPP4ESR2ABCG2ABCC1
SCHEMBL20967338 0.94 TAAR1 (0.45) TAAR1DPP4ESR2ABCG2NT5E
SCHEMBL20967349 0.91 TOP1 (0.43) DPP4ABCG2CYP3A4
SCHEMBL20967381 0.91 ABCG2 (0.43) TAAR1DPP4ESR2ABCG2ABCC1
SCHEMBL20967398 0.91 TAAR1 (0.39) TAAR1DPP4ESR2ABCG2
SCHEMBL20967426 0.91 TOP1 (0.44) DPP4ABCG2
SCHEMBL20967400 0.91 TOP1 (0.44) DPP4ABCG2
SCHEMBL20967448 0.91 TOP1 (0.44) DPP4ABCG2CYP3A4
SCHEMBL20967450 0.91 TOP1 (0.44) DPP4ABCG2CYP3A4
SCHEMBL20967346 0.91 TOP1 (0.44) DPP4ABCG2

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-11251376-B2 Heterocyclic compound and organic light-emitting device including the same SAMSUNG DISPLAY CO., LTD. (KR) 2022-02-15 — — US disclosed
US-20190131535-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG DISPLAY CO., LTD. (KR) 2019-05-02 — — 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-11251376-B2 Heterocyclic compound and organic light-emitting device including the same LAGE3, DDT, AOC2 TAAR1 2337/4885DPP4 2961/4885ESR2 186/4885
US-20190131535-A1 HETEROCYCLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME LAGE3, DDT, AOC2 TAAR1 2337/4885DPP4 2961/4885ESR2 186/4885

“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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