SCHEMBL16477987

SCHEMBL16477987

CCCCCCC1(CCCCCC)c2cc(-c3ccc(/C(C)=N/C(C)=O)cc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(-c4ccc(/C(C)=N/C(C)=O)cc4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(-c3ccc(/C(C)=N/C(C)=O)cc3)ccc2-1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PTPN11 Q06124 4/20 0.35
▸ RARB P10826 12/20 0.34
▸ MAPT P10636 2/20 0.34
▸ RARA P10276 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ MTOR P42345 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ HDAC1 Q13547 2/20 0.33
▸ HDAC2 Q92769 2/20 0.33
▸ HDAC8 Q9BY41 2/20 0.33
▸ HDAC11 Q96DB2 1/20 0.33
▸ PDK2 Q15119 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ RARG P13631 1/20 0.31

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
SCHEMBL14060977 0.89 HSD17B1 (0.41) PTPN11RARBMAPTRARAMEN1
SCHEMBL16477991 0.87 MGLL (0.34) PTPN11RARBMAPT
SCHEMBL16477966 0.86 PTPN11 (0.36) PTPN11RARBMAPTRARAMEN1
SCHEMBL16477961 0.81 RAB9A (0.40) RARBMAPTALDH1A1PDK2
SCHEMBL16477968 0.77 PTPN11 (0.44) PTPN11ALDH1A1PDK2
SCHEMBL16477975 0.76 PPARG (0.33) PTPN11MAPTMEN1KMT2APDK2
SCHEMBL18256537 0.76 RARB (0.54) PTPN11RARBMAPTRARAMEN1
SCHEMBL16477977 0.76 THRA (0.36) RARBMAPTMEN1ALDH1A1KMT2A
SCHEMBL16477992 0.74 CNR2 (0.43) ALDH1A1PDK2
SCHEMBL16477959 0.72 THRA (0.32) —

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
US-9382259-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2016-07-05 — — US disclosed
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups AMERICAN DYE SOURCE, INC. (CA) 2016-01-21 — — US disclosed
US-9127017-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2015-09-08 — — US disclosed
US-20140200350-A1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS AMERICAN DYE SOURCE, INC. (CA) 2014-07-17 — — 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-20140200350-A1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS PPOX, SCO2, LPO PTPN11 3309/4885RARB 399/4885MAPT 2289/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR PTPN11 3497/4885RARB 463/4885MAPT 2147/4885

“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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