SCHEMBL800551

SCHEMBL800551

CCC(C(=O)OC)=C(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.42
TDP1 Q9NUW8 2/20 0.38
MGAM O43451 2/20 0.36
GAA P10253 2/20 0.36
SI P14410 2/20 0.36
MGAM2 Q2M2H8 2/20 0.36
TET2 Q6N021 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
MAPT P10636 2/20 0.34
TSHR P16473 4/20 0.33
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32
FFAR3 O14843 1/20 0.32
SOAT1 P35610 1/20 0.31
TGFBR1 P36897 1/20 0.30

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 SCHEMBL9278913 0.97 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
Hydrochloric Acid SCHEMBL28271409 0.95 ALDH1A1 (0.39) ALDH1A1TDP1MGAMGAASI
SCHEMBL10010703 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MGAMGAASI
SCHEMBL11153869 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MGAMGAASI
SCHEMBL10010710 0.86 ALDH1A1 (0.41) ALDH1A1TDP1MGAMGAASI
SCHEMBL305145 0.82 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL305143 0.82 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL28166961 0.82 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL29134074 0.82 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI
SCHEMBL28587870 0.82 ALDH1A1 (0.40) ALDH1A1TDP1MGAMGAASI

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107778901-B Corn stalk fiber reinforced friction material and preparation method thereof 吉林大学 2022-11-22 CN claimed
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
CN-107778901-B Corn stalk fiber reinforced friction material and preparation method thereof 吉林大学 2022-11-22 CN 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
CN-207891290-U A kind of corn stalk fiber enhancing friction material 吉林大学 2018-09-21 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
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
CN-107778901-A A kind of corn stalk fiber enhancing friction material and preparation method thereof 吉林大学 2018-03-09 CN disclosed
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS MEIJI SEIKA KAISHA (JP) 2016-06-02 US disclosed
CN-105377811-A Cyanostilbenes ROLIC AG 2016-03-02 CN disclosed
US-9260375-B2 Metallo-β-lactamase inhibitors MEIJI SEIKA KAISHA, LTD. (JP) 2016-02-16 US disclosed
US-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS CHIKAUCHI KEN (JP) 2012-03-22 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 (4 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-20120071457-A1 METALLO-BETA-LACTAMASE INHIBITORS ME1, MGAM, GAA ALDH1A1 372/4885TDP1 2860/4885MGAM 2/4885
US-10251826-B2 Alkaline agent for lightening hair containing oxidants and special carboxylic acid esters KRT18, ALDH7A1, ALDH1A2 ALDH1A1 14/4885TDP1 1946/4885MGAM 3063/4885
US-20160151322-A1 METALLO-B-LACTAMASE INHIBITORS ME1, MGAM, MANBA ALDH1A1 461/4885TDP1 3098/4885MGAM 2/4885
US-20180140523-A1 ALKALINE AGENT FOR LIGHTENING HAIR CONTAINING OXIDANTS AND SPECIAL CARBOXYLIC ACID ESTERS KRT18, ALDH7A1, ALDH1A2 ALDH1A1 14/4885TDP1 1946/4885MGAM 3063/4885

“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.