SCHEMBL17050076

SCHEMBL17050076

Clc1cc(-c2ccccc2)ccc1Nc1ccc2c(c1)C1(c3ccccc3-c3ccccc31)c1ccccc1-2

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ ALOX15 P16050 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ PDK2 Q15119 11/20 0.39
▸ RIPK2 O43353 1/20 0.38
▸ EGFR P00533 1/20 0.38
▸ TGFBR1 P36897 1/20 0.38
▸ MAPK14 Q16539 2/20 0.37
▸ ESR2 Q92731 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ MAPK10 P53779 1/20 0.36
▸ DHODH Q02127 1/20 0.35
▸ SMO Q99835 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL807849 0.86 PDK2 (0.41) HTTPDK2RIPK2EGFRTGFBR1
SCHEMBL807854 0.84 PDK2 (0.39) ALDH1A1GAAHTTPDK2ESR2
SCHEMBL21368218 0.84 PDK2 (0.43) HTTPDK2MAPK14NPSR1
SCHEMBL25657060 0.83 PDK2 (0.49) ALDH1A1GAAALOX15HTTTDP1
SCHEMBL9883238 0.83 MAPK14 (0.45) ALDH1A1GAAALOX15HTTTDP1
SCHEMBL29518397 0.83 PDK2 (0.54) ALDH1A1ALOX15HTTTDP1PDK2
SCHEMBL808129 0.83 PDK2 (0.54) ALDH1A1ALOX15HTTTDP1PDK2
SCHEMBL15840195 0.81 FABP3 (0.41) ALDH1A1GAAALOX15HTTTDP1
SCHEMBL796163 0.80 PDK2 (0.44) PDK2MAPK14MAPK8MAPK10
SCHEMBL29518615 0.80 PDK2 (0.51) ALDH1A1ALOX15TDP1PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10957864-B2 Materials for organic light-emitting devices MERCK PATENT GMBH (DE) 2021-03-23 — — US disclosed
US-20190326521-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES MERCK PATENT GMBH (DE) 2019-10-24 — — US disclosed
EP-3110796-B1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES MERCK PATENT GMBH (DE) 2017-12-06 — — EP disclosed
US-20170012219-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES MERCK PATENT GMBH (DE) 2017-01-12 — — US disclosed
US-20170012219-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES MERCK PATENT GMBH (DE) 2017-01-12 — — US disclosed
WO-2015128052-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES MERCK PATENT GMBH (DE) 2015-09-03 — — 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 (3 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-10957864-B2 Materials for organic light-emitting devices L1CAM, EML4, OR10J3 ALDH1A1 155/4885GAA 2400/4885ALOX15 1257/4885
US-20190326521-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES L1CAM, EML4, OR10J3 ALDH1A1 155/4885GAA 2400/4885ALOX15 1257/4885
US-20170012219-A1 MATERIALS FOR ORGANIC LIGHT-EMITTING DEVICES L1CAM, EML4, OR10J3 ALDH1A1 155/4885GAA 2400/4885ALOX15 1257/4885

“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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