SCHEMBL16477992

SCHEMBL16477992

CCCCCCC1(CCCCCC)c2cc(C(=O)c3ccccc3)ccc2-c2c1c1c(c3c2C(CCCCCC)(CCCCCC)c2cc(C(=O)c4ccccc4)ccc2-3)C(CCCCCC)(CCCCCC)c2cc(C(=O)c3ccccc3)ccc2-1

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.43
▸ PDK2 Q15119 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ ATM Q13315 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ LTB4R Q15722 1/20 0.39
▸ CES2 O00748 2/20 0.39
▸ CES1 P23141 2/20 0.39
▸ NAAA Q02083 1/20 0.38
▸ MMP2 P08253 2/20 0.38
▸ MMP9 P14780 2/20 0.38
▸ MMP8 P22894 2/20 0.38
▸ MMP13 P45452 2/20 0.38
▸ HPGD P15428 1/20 0.37

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
SCHEMBL16477965 0.93 CNR2 (0.39) CNR2PDK2L3MBTL1ATMTDP1
SCHEMBL16477969 0.87 MMP2 (0.43) CNR2ALDH1A1MMP2MMP9MMP8
SCHEMBL16477967 0.86 CNR2 (0.39) CNR2ALDH1A1
SCHEMBL16477961 0.85 RAB9A (0.40) PDK2ALDH1A1HPGD
SCHEMBL17084318 0.84 PDK2 (0.41) CNR2PDK2L3MBTL1ATMTDP1
SCHEMBL16477970 0.83 PDK2 (0.46) CNR2PDK2ALDH1A1HPGD
SCHEMBL17056201 0.80 PDK2 (0.41) CNR2PDK2ALDH1A1LTB4RCES2
SCHEMBL16477977 0.80 THRA (0.36) PDK2ALDH1A1HPGD
SCHEMBL15159198 0.78 PDK2 (0.42) CNR2PDK2MMP2MMP9MMP8
SCHEMBL14060977 0.78 HSD17B1 (0.41) ALDH1A1

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 CNR2 1259/4885PDK2 1248/4885L3MBTL1 1864/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR CNR2 1195/4885PDK2 1309/4885L3MBTL1 1684/4885

“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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