SCHEMBL17754958

SCHEMBL17754958

COc1ccc(N(c2ccc(OC)cc2)c2ccc3c(c2)C(=O)c2ccccc2-3)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 2/20 0.50
▸ MAPT P10636 5/20 0.47
▸ RAB9A P51151 4/20 0.47
▸ SMN1; SMN2 Q16637 4/20 0.47
▸ L3MBTL1 Q9Y468 4/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ MITF O75030 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ MAOB P27338 1/20 0.47
▸ AGTR1 P30556 1/20 0.47
▸ PTPN1 P18031 2/20 0.45
▸ PTPRC P08575 2/20 0.45
▸ RPS6KA2 Q15349 1/20 0.44
▸ MAPK1 P28482 4/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ TP53 P04637 1/20 0.44
▸ TSHR P16473 1/20 0.44
▸ KDM4E B2RXH2 1/20 0.44

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
SCHEMBL31115161 1.00 CES1 (0.50) CES1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL17754957 0.94 MAPT (0.44) CES1MAPTRAB9AL3MBTL1NPC1
SCHEMBL12887867 0.89 ABL1 (0.46) CES1MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL28555094 0.88 MAPT (0.51) CES1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL17754959 0.84 TUBB4A (0.45) MAPTSMN1; SMN2MAPK1ALDH1A1POLB
SCHEMBL16683998 0.83 MAPK1 (0.50) CES1MAPTRAB9ASMN1; SMN2L3MBTL1
SCHEMBL13026514 0.83 CA1 (0.46) MAPTRAB9ASMN1; SMN2L3MBTL1NPC1
SCHEMBL17752229 0.82 KMT2A (0.40) MAPTRAB9AL3MBTL1NPC1MAPK1
SCHEMBL14079280 0.82 TRPA1 (0.50) CES1LMNAKDM4ECYP1A2TUBB4A
SCHEMBL27944962 0.82 PTPRC (0.61) CES1MAPTRAB9ASMN1; SMN2L3MBTL1

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-9685615-B2 Light emitting material, delayed fluorescent emitter, organic light emitting device, and compound KYULUX, INC. (JP) 2017-06-20 — — US disclosed
US-20160141516-A1 LIGHT EMITTING MATERIAL, DELAYED FLUORESCENT EMITTER, ORGANIC LIGHT EMITTING DEVICE, AND COMPOUND KYUSHU UNIVERSITY, NATIONAL UNIVERSITY CORPORATION (JP) 2016-05-19 — — 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 (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-20160141516-A1 LIGHT EMITTING MATERIAL, DELAYED FLUORESCENT EMITTER, ORGANIC LIGHT EMITTING DEVICE, AND COMPOUND CRY2, CRY1, IK CES1 3908/4885MAPT 3295/4885RAB9A 994/4885

“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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