SCHEMBL2694192

SCHEMBL2694192

[c]1ccccc1-c1ccc2[nH]c3ccccc3c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.47
▸ HSD17B10 Q99714 2/20 0.47
▸ GPR3 P46089 1/20 0.47
▸ KIF11 P52732 5/20 0.44
▸ KDM4E B2RXH2 4/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ HPGD P15428 2/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ GABRP O00591 4/20 0.39
▸ GABRD O14764 4/20 0.39
▸ GABRA1 P14867 4/20 0.39
▸ GABRB1 P18505 4/20 0.39
▸ GABRG2 P18507 4/20 0.39
▸ GABRB3 P28472 4/20 0.39
▸ GABRA5 P31644 4/20 0.39
▸ GABRA3 P34903 4/20 0.39
▸ GABRA2 P47869 4/20 0.39
▸ GABRB2 P47870 4/20 0.39

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
SCHEMBL29533063 0.80 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL29511649 0.80 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL670060 0.80 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL16127349 0.80 AHR (0.70) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL1371507 0.78 HPRT1 (0.31) —
SCHEMBL30799378 0.78 AHR (0.67) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL19510163 0.78 AHR (0.67) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL31405535 0.76 AHR (0.64) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL17515231 0.76 AHR (0.53) AHRALDH1A1HSD17B10GPR3KIF11
SCHEMBL23156747 0.74 AHR (0.61) AHRALDH1A1HSD17B10GPR3KIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108129429-B Naphthalene benzofuran derivative and preparation method thereof 张家港九力新材料科技有限公司 2021-07-20 — — CN disclosed
CN-108264490-B 1,3, 5-triazine derivative and preparation method and application thereof 湖北尚赛光电材料有限公司 2021-06-01 — — CN disclosed
WO-2018000175-A1 PROCESS FOR MAKING AN ORGANIC CHARGE TRANSPORTING FILM DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 — — WO disclosed
WO-2018000179-A1 PROCESS FOR MAKING AN ORGANIC CHARGE TRANSPORTING FILM DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 — — WO disclosed
WO-2018000176-A1 PROCESS FOR MAKING AN ORGANIC CHARGE TRANSPORTING FILM DOW GLOBAL TECHNOLOGIES LLC (US) 2018-01-04 — — WO disclosed
EP-3183285-A1 COMPOSITIONS COMPRISING OXYGEN SUBSTITUTED BENZOCYCLOBUTENES AND DIENOPHILES, AND ELECTRONIC DEVICES CONTAINING SAME Dow Global Technologies LLC (US) 2017-06-28 — — EP disclosed
EP-1858094-B1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORP (JP) 2017-03-08 — — EP disclosed
WO-2016026451-A1 COMPOSITIONS COMPRISING OXYGEN SUBSTITUTED BENZOCYCLOBUTENES AND DIENOPHILES, AND ELECTRONIC DEVICES CONTAINING SAME DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-25 — — WO disclosed
US-8168307-B2 Organic compound, charge transport material and organic electroluminescent device PIONEER CORPORATION (JP) 2012-05-01 — — US disclosed
US-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE PIONEER CORPORATION (JP) 2009-01-22 — — US disclosed
EP-1858094-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE Pioneer Corporation (JP) 2007-11-21 — — EP 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-20090021146-A1 ORGANIC COMPOUND, CHARGE TRANSPORT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE SLC25A21, SLCO2A1, OCIAD2 AHR 1592/4885ALDH1A1 574/4885HSD17B10 2301/4885

“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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