SCHEMBL1717620

SCHEMBL1717620

COc1ccc(OC2CCC(C)(C)C(C=CC(C)=CC=CC(C)=CC=O)=C2C)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.50
CYP3A4 P08684 3/20 0.50
ALOX15 P16050 2/20 0.50
TSHR P16473 2/20 0.50
APP P05067 2/20 0.50
SNCA P37840 2/20 0.50
TP53 P04637 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
NR2E1 Q9Y466 1/20 0.50
MAPT P10636 5/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
LMNA P02545 2/20 0.45
HIF1A Q16665 2/20 0.45
GMNN O75496 2/20 0.45
APEX1 P27695 1/20 0.45
PMP22 Q01453 1/20 0.45
CYP26A1 O43174 5/20 0.45
TRPV1 Q8NER1 2/20 0.43
RARA P10276 4/20 0.42
PTGS1 P23219 3/20 0.41

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
SCHEMBL1717617 1.00 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL1717907 0.92 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL1717912 0.92 ALDH1A1 (0.50) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL3407627 0.89 MAPT (0.65) ALDH1A1CYP3A4ALOX15APPSNCA
SCHEMBL3407633 0.89 MAPT (0.65) ALDH1A1CYP3A4ALOX15APPSNCA
SCHEMBL1717884 0.87 CYP26A1 (0.45) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL10067414 0.85 MAPT (0.50) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL13252639 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL14519806 0.82 RARG (0.45) ALDH1A1CYP3A4ALOX15TSHRAPP
SCHEMBL1718771 0.82 ALDH1A1 (0.65) ALDH1A1CYP3A4ALOX15APPSNCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US claimed
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP claimed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 US claimed
US-8420610-B2 Polyunsaturated compounds, method for preparing same and compositions containing the same PIERRE FABRE DERMO-COSMETIQUE (FR) 2013-04-16 US disclosed
EP-1968993-B1 NOVEL POLYUNSATURATED COMPOUNDS, METHOD FOR PREPARING SAME AND COMPOSITIONS CONTAINING SAME FABRE PIERRE DERMO COSMETIQUE (FR) 2012-01-11 EP disclosed
US-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same PIERRE FABRE DERMO-COSMETIQUE (FR) 2010-07-01 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-20100168045-A1 Novel Polyunsaturated Compounds, Method for Preparing Same and Compositions Containing the Same CBR3, CBR1, DECR1 ALDH1A1 396/4885CYP3A4 1393/4885ALOX15 24/4885

“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.