SCHEMBL3366882

SCHEMBL3366882

CCOC(=O)C(CC)=C(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.48
LMNA P02545 1/20 0.48
HSD17B10 Q99714 1/20 0.48
GLO1 Q04760 1/20 0.46
SOAT1 P35610 1/20 0.46
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 3/20 0.40
ALOX15 P16050 1/20 0.40
MGAM O43451 1/20 0.40
GAA P10253 1/20 0.40
SI P14410 1/20 0.40
MGAM2 Q2M2H8 1/20 0.40
EGLN1 Q9GZT9 1/20 0.39
TRPA1 O75762 1/20 0.37
CYP2D6 P10635 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35

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
Ammonia Solution, Strong SCHEMBL27502214 0.98 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10GLO1SOAT1
Hydrochloric Acid SCHEMBL9481295 0.95 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL304712 0.87 SOAT1 (0.52) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL304714 0.87 SOAT1 (0.52) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL11146140 0.87 SOAT1 (0.52) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL16305051 0.87 ALDH1A1 (0.41) ALDH1A1LMNAHSD17B10GLO1SOAT1
Methacrylic Acid SCHEMBL28034233 0.86 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL19755021 0.85 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1SOAT1
Ammonia Solution, Strong SCHEMBL29049234 0.84 SOAT1 (0.50) ALDH1A1LMNAHSD17B10GLO1SOAT1
Ammonia Solution, Strong SCHEMBL4866860 0.84 SOAT1 (0.50) ALDH1A1LMNAHSD17B10GLO1SOAT1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10251826-B2 Alkaline agent for lightening hair containing oxidants and special carboxylic acid esters HENKEL AG & CO. KGAA (DE) 2019-04-09 US claimed
US-20180140523-A1 ALKALINE AGENT FOR LIGHTENING HAIR CONTAINING OXIDANTS AND SPECIAL CARBOXYLIC ACID ESTERS HENKEL AG & CO. KGAA (DE) 2018-05-24 US claimed
EP-3118205-B1 MONONUCLEAR RUTHENIUM COMPLEX AND ORGANIC SYNTHESIS REACTION USING SAME UNIV KYUSHU NAT UNIV CORP (JP) 2020-04-22 EP disclosed
US-10251826-B2 Alkaline agent for lightening hair containing oxidants and special carboxylic acid esters HENKEL AG & CO. KGAA (DE) 2019-04-09 US disclosed
US-20180140523-A1 ALKALINE AGENT FOR LIGHTENING HAIR CONTAINING OXIDANTS AND SPECIAL CARBOXYLIC ACID ESTERS HENKEL AG & CO. KGAA (DE) 2018-05-24 US disclosed
US-20180140523-A1 ALKALINE AGENT FOR LIGHTENING HAIR CONTAINING OXIDANTS AND SPECIAL CARBOXYLIC ACID ESTERS HENKEL AG & CO. KGAA (DE) 2018-05-24 US disclosed
US-20140371314-A1 Deuterated Tetramethyl Dioic Acids, Compositions Comprising Them And Uses Thereof SYNDROMEX LTD. (IL) 2014-12-18 US disclosed
US-8450371-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2013-05-28 US disclosed
US-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2012-12-20 US disclosed
US-8258177-B2 4-((phenoxyalkyl)thio)-phenoxyacetic acids and analogs JANSSEN PHARMACEUTICA, N.V. (BE) 2012-09-04 US disclosed
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS CYMABAY THERAPEUTICS, INC. 2011-12-01 US disclosed
EP-1996590-A1 SPIROINDOLINONE DERIVATIVES F. Hoffmann-la Roche AG (CH) 2008-12-03 EP disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES HOFFMANN-LA ROCHE INC. 2008-01-10 US disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
WO-2007104664-A1 SPIROINDOLINONE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2007-09-20 WO disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 US disclosed
US-20070213341-A1 Spiroindolinone derivatives CHEN LI 2007-09-13 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 (7 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-20120322875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ALDH1A1 1558/4885LMNA 2440/4885HSD17B10 319/4885
US-20080009486-A1 SPIROINDOLINONE DERIVATIVES RB1, PKD1, KRAS ALDH1A1 156/4885LMNA 2147/4885HSD17B10 906/4885
US-20110294875-A1 4-((PHENOXYALKYL)THIO)-PHENOXYACETIC ACIDS AND ANALOGS PPARA, PPARG, PPARD ALDH1A1 1558/4885LMNA 2440/4885HSD17B10 319/4885
US-10251826-B2 Alkaline agent for lightening hair containing oxidants and special carboxylic acid esters KRT18, ALDH7A1, ALDH1A2 ALDH1A1 14/4885LMNA 979/4885HSD17B10 311/4885
US-20070213341-A1 Spiroindolinone derivatives MKI67, PKD1, RCC2 ALDH1A1 65/4885LMNA 2188/4885HSD17B10 149/4885
US-20140371314-A1 Deuterated Tetramethyl Dioic Acids, Compositions Comprising Them And Uses Thereof CYP27A1, GOT2, TXN2 ALDH1A1 997/4885LMNA 2350/4885HSD17B10 211/4885
US-20180140523-A1 ALKALINE AGENT FOR LIGHTENING HAIR CONTAINING OXIDANTS AND SPECIAL CARBOXYLIC ACID ESTERS KRT18, ALDH7A1, ALDH1A2 ALDH1A1 14/4885LMNA 979/4885HSD17B10 311/4885

“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.