SCHEMBL14060977

SCHEMBL14060977

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

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 3/20 0.41
▸ PTPN11 Q06124 3/20 0.38
▸ RARB P10826 11/20 0.37
▸ MAPT P10636 2/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ RARA P10276 1/20 0.37
▸ MTOR P42345 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ TDP2 O95551 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KIF11 P52732 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
SCHEMBL16477961 0.90 RAB9A (0.40) HSD17B1RARBMAPTALDH1A1SMN1; SMN2
SCHEMBL16477987 0.89 PTPN11 (0.35) PTPN11RARBMAPTMEN1ALDH1A1
SCHEMBL16477991 0.87 MGLL (0.34) PTPN11RARBMAPT
SCHEMBL16477966 0.86 PTPN11 (0.36) PTPN11RARBMAPTMEN1ALDH1A1
SCHEMBL16477977 0.84 THRA (0.36) HSD17B1RARBMAPTMEN1ALDH1A1
SCHEMBL16477968 0.83 PTPN11 (0.44) PTPN11ALDH1A1
SCHEMBL18256537 0.80 RARB (0.54) PTPN11RARBMAPTMEN1ALDH1A1
SCHEMBL27837668 0.79 MAPT (0.44) HSD17B1RARBMAPTALDH1A1
SCHEMBL16477992 0.78 CNR2 (0.43) ALDH1A1
SCHEMBL16477975 0.78 PPARG (0.33) PTPN11MAPTMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2714659-B1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS AMERICAN DYE SOURCE INC (CA) 2017-07-05 — — EP disclosed
US-9382259-B2 Compounds with oxime ester and/or acyl groups AMERICAN DYE SOURCE, INC. (CA) 2016-07-05 — — US disclosed
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-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-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
WO-2012159213-A1 COMPOUNDS WITH OXIME ESTER AND/OR ACYL GROUPS AMERICAN DYE SOURCE, INC. (CA) 2012-11-29 — — 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 (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 HSD17B1 1063/4885PTPN11 3309/4885RARB 399/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR HSD17B1 1099/4885PTPN11 3497/4885RARB 463/4885

“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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