SCHEMBL16477977

SCHEMBL16477977

C=C(C)c1ccc2c(c1)C(CCCCCC)(CCCCCC)c1c-2c2c(c3c1-c1ccc(C(C)=O)cc1C3(CCCCCC)CCCCCC)-c1ccc(C(C)=O)cc1C2(CCCCCC)CCCCCC

nearest known ligand 0.36

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRA P10827 4/20 0.36
▸ THRB P10828 4/20 0.36
▸ RAB9A P51151 2/20 0.35
▸ MAPT P10636 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ PDK2 Q15119 1/20 0.34
▸ HPGD P15428 3/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ GAA P10253 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ HSD17B1 P14061 1/20 0.32
▸ RARB P10826 2/20 0.32
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HSD17B3 P37058 2/20 0.31
▸ HTR7 P34969 1/20 0.31
▸ HTR2B P41595 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
SCHEMBL16477961 0.94 RAB9A (0.40) THRATHRBRAB9AMAPTNPC1
SCHEMBL14060977 0.84 HSD17B1 (0.41) MAPTALDH1A1SMN1; SMN2HSD17B1RARB
SCHEMBL27837668 0.83 MAPT (0.44) THRATHRBRAB9AMAPTNPC1
SCHEMBL16477992 0.80 CNR2 (0.43) PDK2HPGDALDH1A1
SCHEMBL16477959 0.79 THRA (0.32) THRATHRBRAB9A
SCHEMBL16477975 0.79 PPARG (0.33) RAB9AMAPTPDK2MEN1KMT2A
SCHEMBL16477965 0.79 CNR2 (0.39) PDK2ALDH1A1RARB
SCHEMBL28871391 0.78 PDK2 (0.51) RAB9AMAPTNPC1PDK2
SCHEMBL28776646 0.78 PDK2 (0.51) RAB9AMAPTNPC1PDK2
SCHEMBL16477969 0.77 MMP2 (0.43) RAB9AMAPTNPC1HPGDALDH1A1

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 THRA 1594/4885THRB 1282/4885RAB9A 2770/4885
US-20160016964-A1 Compounds With Oxime Ester And/Or Acyl Groups SCO2, PPOX, SQOR THRA 1581/4885THRB 1317/4885RAB9A 2592/4885

“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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