SCHEMBL2171580

SCHEMBL2171580

CCC=C(C=O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.45
MAPK1 P28482 2/20 0.45
TDP1 Q9NUW8 2/20 0.45
CES1 P23141 7/20 0.41
CES2 O00748 6/20 0.41
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
ATM Q13315 1/20 0.38
LMNA P02545 2/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TSHR P16473 2/20 0.36
DAO P14920 1/20 0.36
NAPRT Q6XQN6 1/20 0.36

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
SCHEMBL2171577 1.00 ALDH1A1 (0.45) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL11603666 0.91 CYP1A2 (0.40) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL11603662 0.91 CYP1A2 (0.40) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL6129938 0.84 CYP1A2 (0.42) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL6129937 0.84 CYP1A2 (0.42) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL11538903 0.81 CES2 (0.43) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL11538905 0.81 CES2 (0.43) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL24914463 0.79 ATM (0.38) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL11682865 0.79 ALDH1A1 (0.45) ALDH1A1MAPK1TDP1CES1CES2
SCHEMBL21747960 0.79 AKT1 (0.43) ALDH1A1CES1CES2MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118812960-A Corrosion-resistant and ageing-resistant PP rope for submarine cable and production process thereof 无锡市恒龙电缆材料有限公司 2024-10-22 CN claimed
EP-4356894-A1 SUSTAINABLE PRODUCT WITH MALODORS Beiersdorf AG (DE) 2024-04-24 EP claimed
US-20230059747-A1 A COOLING PREPARATION SYMRISE AG (DE) 2023-02-23 US claimed
EP-3982910-A1 A COOLING PREPARATION Symrise AG (DE) 2022-04-20 EP claimed
WO-2020249216-A1 A COOLING PREPARATION SYMRISE AG (DE) 2020-12-17 WO claimed
US-9743685-B2 Mixtures having improved cooling effect SYMRISE AG (DE) 2017-08-29 US claimed
EP-2849718-B1 MIXTURES HAVING IMPROVED COOLING EFFECT SYMRISE AG (DE) 2017-02-01 EP claimed
US-9139714-B2 Method for producing dialkylphosphinic acids and esters and salts thereof by means of allyl alcohols-acroleins and use thereof CLARIANT FINANCE (BVI) LIMITED (VG) 2015-09-22 US claimed
US-20150139918-A1 MIXTURES HAVING IMPROVED COOLING EFFECT SYMRISE AG (DE) 2015-05-21 US claimed
EP-2849718-A2 MIXTURES HAVING IMPROVED COOLING EFFECT Symrise AG (DE) 2015-03-25 EP claimed
US-4247718-A Process for the preparation of α-β unsaturated alcohols STAMICARBON, B.V. (NL) 1981-01-27 US claimed
US-4209542-A Process for augmenting or enhancing the aroma or taste of a foodstuff by adding to a foodstuff a mixture of 1-acyl-2,6,6-trimethylcyclohexene derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1980-06-24 US claimed
EP-0004122-A2 Process for the preparation of alpha,beta-unsaturated alcohols STAMICARBON B.V. (NL) 1979-09-19 EP claimed
US-4103036-A Flavoring with derivatives of 1-acetyl-3,3-dimethylcyclohexane, and processes for using same and processes for preparing said 1-acetyl-3,3-dimethylcyclohexane derivatives INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-07-25 US claimed
US-4093752-A FOODSTUFFS, CHEWING GUM, TOOTHPASTE, MEDICINES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-06-06 US claimed
US-4089986-A FOODS, TOOTHPASTE, CHEWING GUM, DRUGS, PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-05-16 US claimed
US-4084009-A 4-HYDROXY-2,4,6,6-TETRAMETHYLCYCLOHEX-2-ENE-1-ONE, ORGANOLEPTIC INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-04-11 US claimed
US-4068012-A FLAVORS, PERFUMES, TOBACCO INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1978-01-10 US claimed
US-4053657-A FOODS AND FLAVOR USE OF 1-(3,3-DIMETHYL-2-NORBORNYL-2-PROPANONE INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1977-10-11 US claimed
US-4000329-A Flavoring compositions and foods containing one or more alkyl side chain methyl substituted or unsubstituted 2,2,6-trimethyl-1-cyclohexen-1-vinyl alkanoates INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1976-12-28 US claimed

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-20230059747-A1 A COOLING PREPARATION GPX4, HTR3C, ADH1C ALDH1A1 153/4885MAPK1 3384/4885TDP1 1456/4885
US-20150139918-A1 MIXTURES HAVING IMPROVED COOLING EFFECT BCL2A1, HSPE1, BCL2 ALDH1A1 418/4885MAPK1 423/4885TDP1 846/4885

“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.