SCHEMBL8041180

SCHEMBL8041180

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

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.61
PTGES O14684 7/20 0.61
ALOX5 P09917 7/20 0.61
MMP2 P08253 2/20 0.55
MMP3 P08254 2/20 0.55
FFAR1 O14842 2/20 0.55
MEN1 O00255 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
KMT2A Q03164 1/20 0.53
PPARA Q07869 1/20 0.53
GRIK1 P39086 1/20 0.50

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
SCHEMBL1856449 0.86 LTA4H (0.60) PPARGALOX5MMP2MMP3FFAR1
SCHEMBL22367637 0.86 MMP2 (0.63) PPARGPTGESALOX5MMP2MMP3
SCHEMBL29779565 0.86 MMP2 (0.63) PPARGPTGESALOX5MMP2MMP3
SCHEMBL7985219 0.85 LMNA (0.54) PPARGPTGESALOX5FFAR1PPARA
SCHEMBL1856418 0.85 ALDH1A1 (0.56) ALOX5MMP2MMP3MEN1NPC1
SCHEMBL8035628 0.85 PPARG (0.48) PPARGPTGESALOX5MMP2MMP3
SCHEMBL1131425 0.84 GRIK1 (0.62) PPARGPTGESALOX5MMP2MMP3
SCHEMBL473644 0.84 MMP2 (0.61) PPARGPTGESALOX5MMP2MMP3
SCHEMBL1857596 0.83 GRIK1 (0.55) PPARGMMP2MMP3FFAR1PPARA
SCHEMBL1857504 0.83 GRIK1 (0.57) PPARGPTGESALOX5MMP2MMP3

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.