SCHEMBL8035628

SCHEMBL8035628

CCCCOc1ccc(CCC(CCCc2ccccc2)C(=O)OCOC(C)=O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.48
PTGES O14684 5/20 0.48
ALOX5 P09917 5/20 0.48
FFAR1 O14842 2/20 0.47
MEN1 O00255 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
KMT2A Q03164 1/20 0.46
MMP2 P08253 1/20 0.45
MMP3 P08254 1/20 0.45
S1PR1 P21453 4/20 0.45
S1PR3 Q99500 2/20 0.45
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL1856529 0.90 LTA4H (0.50) ALOX5FFAR1MMP2MMP3
SCHEMBL1863760 0.88 GRIK1 (0.47) PPARGPTGESALOX5MMP2MMP3
SCHEMBL8041180 0.85 PPARG (0.61) PPARGPTGESALOX5FFAR1MEN1
SCHEMBL1855513 0.77 ALDH1A1 (0.47)
SCHEMBL1865673 0.75 LTA4H (0.55) ALOX5FFAR1NPC1RAB9AMMP2
SCHEMBL11269284 0.75 SMN1; SMN2 (0.51) PPARGPTGESALOX5MEN1NPC1
SCHEMBL27400118 0.75 PTGES (0.46) PPARGPTGESALOX5MMP2MMP3
SCHEMBL1857414 0.74 SMN1; SMN2 (0.48) PPARGALOX5MEN1NPC1KMT2A
SCHEMBL1857400 0.74 POLB (0.49) MMP2MMP3
SCHEMBL1858392 0.73 ALDH1A1 (0.57) ALOX5MEN1NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS PPARG 3250/4885PTGES 3899/4885ALOX5 1605/4885

“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.