SCHEMBL3479455

SCHEMBL3479455

C=CCCCCCCCCC(O)S

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 5/20 0.42
USP2 O75604 4/20 0.42
MAPT P10636 4/20 0.42
CYP3A4 P08684 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
HPGD P15428 1/20 0.42
ABCC4 O15439 1/20 0.41
LPAR3 Q9UBY5 2/20 0.36
LMNA P02545 2/20 0.36
LPAR2 Q9HBW0 1/20 0.36
RECQL P46063 1/20 0.36
TRPA1 O75762 2/20 0.34

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
SCHEMBL8165095 0.80 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL517696 0.80 USP2 (0.53) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL9722899 0.80 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL10081536 0.80 USP2 (0.53) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL31540500 0.80 USP2 (0.53) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL17122949 0.80 TSHR (0.46) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL15027430 0.80 USP2 (0.53) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL4012822 0.80 USP2 (0.53) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL21056215 0.80 USP2 (0.49) TSHRALDH1A1USP2MAPTCYP3A4
SCHEMBL31438712 0.80 USP2 (0.53) TSHRALDH1A1USP2MAPTCYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8889731-B2 Compounds, compositions and methods for repelling blood-feeding arthropods and deterring their landing and feeding CONTECH ENTERPRISES INC. (US) 2014-11-18 US disclosed
US-8889731-B2 Compounds, compositions and methods for repelling blood-feeding arthropods and deterring their landing and feeding CONTECH ENTERPRISES INC. (US) 2014-11-18 US disclosed
EP-2142500-B1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTPR INC (CA) 2013-07-31 EP disclosed
EP-2142500-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS Contech Enterprises Inc. (CA) 2010-01-13 EP disclosed
EP-2142500-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS Contech Enterprises Inc. (CA) 2010-01-13 EP disclosed
US-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING PHERO TECH INTERNATIONAL INC. (CA) 2009-03-12 US disclosed
US-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING PHERO TECH INTERNATIONAL INC. (CA) 2009-03-12 US disclosed
WO-2008116321-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTERPRISES INC. (CA) 2008-10-02 WO disclosed
WO-2008116321-A1 ALLYL SULFIDE COMPOUNDS, AND COMPOSITIONS AND METHODS USING SAID COMPOUNDS FOR REPELLING BLOOD-FEEDING ARTHROPODS CONTECH ENTERPRISES INC. (CA) 2008-10-02 WO 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-20090069407-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REPELLING BLOOD-FEEDING ARTHROPODS AND DETERRING THEIR LANDING AND FEEDING SAV1, CUTA, SOAT1 TSHR 3904/4885ALDH1A1 611/4885USP2 2160/4885

“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.