SCHEMBL1344952

SCHEMBL1344952

CCCCCC=CCC=CCCCCCCCC(=O)OC(=O)CCCCCCC/C=C\C/C=C\CCCCC

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.69
F7 P08709 4/20 0.69
F3 P13726 4/20 0.69
KDM4E B2RXH2 3/20 0.69
PPARG P37231 3/20 0.69
PPARD Q03181 3/20 0.69
PPARA Q07869 3/20 0.69
FABP3 P05413 3/20 0.69
FFAR1 O14842 3/20 0.69
PTGS1 P23219 2/20 0.69
CYP3A4 P08684 2/20 0.69
ALOX15 P16050 2/20 0.69
TSHR P16473 2/20 0.69
HSD17B10 Q99714 2/20 0.69
TDP1 Q9NUW8 2/20 0.69
DUSP3 P51452 1/20 0.69
PTPN7 P35236 1/20 0.69
LMNA P02545 1/20 0.69
CYP19A1 P11511 1/20 0.69
FABP4 P15090 1/20 0.69

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
SCHEMBL6004349 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL9247436 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL902647 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL8147558 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL2308944 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL20856203 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL3059246 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL3815947 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL3288345 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG
SCHEMBL819300 1.00 ALDH1A1 (0.69) ALDH1A1F7F3KDM4EPPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063101-B2 Carotenoid analogs and derivatives for the prevention of platelet aggregation CARDAX PHARMACEUTICALS, INC. (US) 2011-11-22 US disclosed
US-20110237674-A1 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT NOVARTIS AG (CH) 2011-09-29 US disclosed
EP-2349248-A2 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT Novartis AG (CH) 2011-08-03 EP disclosed
US-7956205-B2 mixing epoxidized vegetable oils with alkyl/aryl substituted phosphite compounds; prevent pungent odor and flavor of rancid fats; oxidation resistance GALATA CHEMICALS, LLC (US) 2011-06-07 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-20110237674-A1 TOPICAL NSAID COMPOSITIONS HAVING SENSATE COMPONENT TRPA1, TRPV1, PTGES ALDH1A1 971/4885F7 2767/4885F3 3174/4885

“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.