SCHEMBL20174130

SCHEMBL20174130

CCOC(=O)/C(C)=C(\C)CC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 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 2/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 2/20 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
SCHEMBL7941634 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL28690746 1.00 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1SOAT1
Acrylic Acid SCHEMBL28082202 0.86 GLO1 (0.41) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL5611940 0.84 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL5611950 0.84 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL11141816 0.84 ALDH1A1 (0.58) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL9580522 0.83 ALDH1A1 (0.48) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL28396998 0.81 TSHR (0.39) ALDH1A1LMNAHSD17B10SOAT1TSHR
SCHEMBL28392866 0.81 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10GLO1SOAT1
SCHEMBL15913666 0.80 ALDH1A1 (0.48) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113840540-A Spice or flavouring mixtures 西姆莱斯股份公司 2021-12-24 CN 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 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-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.