SCHEMBL19087403

SCHEMBL19087403

Cc1ccc(C)c(Nc2cc(C(C)(C)C)ccc2C)c1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RAPGEF4 Q8WZA2 1/20 0.53
▸ TSHR P16473 1/20 0.46
▸ HSD17B2 P37059 3/20 0.42
▸ GAA P10253 4/20 0.42
▸ TAS2R14 Q9NYV8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ NR1H4 Q96RI1 1/20 0.39
▸ NLRP3 Q96P20 1/20 0.39
▸ GUCY1A1 Q02108 1/20 0.39
▸ GUCY1B1 Q02153 1/20 0.39
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HSD17B10 Q99714 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
SCHEMBL19087556 0.91 RAPGEF4 (0.50) RAPGEF4TSHRHSD17B2TAS2R14ALDH1A1
SCHEMBL17858154 0.85 RAPGEF4 (0.50) RAPGEF4TSHRHSD17B2GAAALDH1A1
SCHEMBL24255017 0.85 TAS2R14 (0.41) RAPGEF4TSHRGAATAS2R14ALDH1A1
SCHEMBL29196035 0.83 RAPGEF4 (0.71) RAPGEF4GAAALDH1A1MEN1KMT2A
SCHEMBL19087611 0.83 TAS2R14 (0.50) TAS2R14ALDH1A1MEN1KMT2AHTT
SCHEMBL21401791 0.79 TSHR (0.40) RAPGEF4TSHRHSD17B2GAAALDH1A1
SCHEMBL16418618 0.78 TSHR (0.41) TSHRGAAALDH1A1MEN1KMT2A
SCHEMBL22743371 0.78 HSD17B2 (0.46) HSD17B2GAATAS2R14ALDH1A1MEN1
SCHEMBL30719048 0.77 CSNK1D (0.47) RAPGEF4TSHRHSD17B2GAAALDH1A1
SCHEMBL23927543 0.77 CSNK1D (0.47) RAPGEF4TSHRHSD17B2GAAALDH1A1

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
CN-110249030-B Organic electroluminescent device 材料科学有限公司 2023-04-18 — — CN disclosed
US-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME MATERIAL SCIENCE CO., LTD. (KR) 2019-01-03 — — US disclosed
WO-2018128470-A1 ORGANIC ELECTROLUMINESCENT ELEMENT 머티어리얼사이언스 주식회사 2018-07-12 — — WO disclosed
WO-2017116169-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 머티어리얼사이언스 주식회사 2017-07-06 — — 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 (1 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-20190006592-A1 NOVEL ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME OCIAD1, OCIAD2, ORC3 RAPGEF4 2260/4885TSHR 4534/4885HSD17B2 1961/4885

“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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