SCHEMBL3915903

SCHEMBL3915903

CC1(C)CCCCC(C)(C)N1O

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
CYP2C19 P33261 1/20 0.34
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL20731225 0.97 GAA (0.35) GAAL3MBTL1TSHRNFKB1CYP2C19
SCHEMBL5346 0.93 TSHR (0.39) GAAL3MBTL1TSHRNFKB1CYP2C19
SCHEMBL27498327 0.93 TSHR (0.39) GAAL3MBTL1TSHRNFKB1CYP2C19
SCHEMBL703625 0.93 TSHR (0.39) GAAL3MBTL1TSHRNFKB1CYP2C19
Ammonia Solution, Strong SCHEMBL28821907 0.90 TSHR (0.38) GAAL3MBTL1TSHRNFKB1CYP2C19
Hydrochloric Acid SCHEMBL986021 0.90 TSHR (0.38) GAAL3MBTL1TSHRNFKB1CYP2C19
Water SCHEMBL28630546 0.90 TSHR (0.38) GAAL3MBTL1TSHRNFKB1CYP2C19
Ammonia Solution, Strong SCHEMBL27842174 0.88 TSHR (0.37) GAAL3MBTL1TSHRNFKB1CYP2C19
SCHEMBL244419 0.86 GAA (0.39) GAAL3MBTL1ALDH1A1
SCHEMBL28404925 0.85 TSHR (0.40) GAAL3MBTL1TSHRNFKB1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5401874-A Nitroxide free radical catalysts for oxidation of alkoxy alkanols SHELL OIL COMPANY (US) 1995-03-28 US claimed
EP-2692447-B1 MIXTURE SEPARATION METHOD AND SEPARATION DEVICE UBE INDUSTRIES (JP) 2017-02-22 EP disclosed
EP-2044003-B1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD USING WATER AS SOLVENT UNILEVER PLC (GB) 2012-09-05 EP disclosed
EP-2032528-B1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD UNILEVER PLC (GB) 2012-06-27 EP disclosed
US-7592392-B2 Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry MERCK & CO. INC. (US) 2009-09-22 US disclosed
US-7592392-B2 Synthesis of functional polymers for use in organic synthesis and combinatorial chemistry MERCK & CO. INC. (US) 2009-09-22 US disclosed
EP-2044003-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD USING WATER AS SOLVENT Unilever PLC (GB) 2009-04-08 EP disclosed
EP-2032528-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YEILD Unilever PLC (GB) 2009-03-11 EP disclosed
US-7439388-B2 Process for converting primary amidoalcohols to amidocarboxylic acids in high yield using water as solvent CONOPCO, INC. (US) 2008-10-21 US disclosed
WO-2008000648-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YEILD UNILEVER PLC (GB) 2008-01-03 WO disclosed
WO-2008000671-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD USING WATER AS SOLVENT UNILEVER PLC (GB) 2008-01-03 WO disclosed
US-20070299269-A1 Process for converting primary amidoalcohols to amidocarboxylic acids in high yield CONOPCO, INC., D/B/A UNILEVER 2007-12-27 US disclosed
US-20070299270-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD CONOPCO, INC., D/B/A UNILEVER 2007-12-27 US disclosed
US-20070299281-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD USING WATER AS SOLVENT CONOPCO, INC., D/B/A UNILEVER (US) 2007-12-27 US disclosed
US-7307187-B1 Process for converting primary amidoalcohols to amidocarboxylic acids in high yield CONOPCO, INC. (US) 2007-12-11 US disclosed
US-5401874-A Nitroxide free radical catalysts for oxidation of alkoxy alkanols SHELL OIL COMPANY (US) 1995-03-28 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 (3 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-20070299269-A1 Process for converting primary amidoalcohols to amidocarboxylic acids in high yield AOC2, ACOX1, ACACA GAA 1177/4885L3MBTL1 4055/4885TSHR 2231/4885
US-20070299281-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD USING WATER AS SOLVENT AOC2, ACOX1, ACOX3 GAA 1529/4885L3MBTL1 4588/4885TSHR 3329/4885
US-20070299270-A1 PROCESS FOR CONVERTING PRIMARY AMIDOALCOHOLS TO AMIDOCARBOXYLIC ACIDS IN HIGH YIELD AOC2, ACOX1, ACACA GAA 1177/4885L3MBTL1 4055/4885TSHR 2231/4885

“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.