SCHEMBL1860684

SCHEMBL1860684

O=C(O)C(CCCc1ccccc1)CCc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.53
EPHX2 P34913 1/20 0.53
PPARA Q07869 2/20 0.50
MAPK14 Q16539 2/20 0.50
PPARG P37231 2/20 0.50
MMP2 P08253 2/20 0.48
MMP3 P08254 2/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
GRIK1 P39086 1/20 0.47
FDFT1 P37268 2/20 0.46
PLAAT3 P53816 1/20 0.45
PLAAT5 Q96KN8 1/20 0.45
PLAAT2 Q9NWW9 1/20 0.45
PLAAT4 Q9UL19 1/20 0.45
PPARD Q03181 1/20 0.44
FFAR1 O14842 1/20 0.44
FFAR4 Q5NUL3 1/20 0.44
MMP12 P39900 1/20 0.43
MMP13 P45452 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
SCHEMBL3467455 0.89 FDFT1 (0.56) PPARAPPARGMMP2MMP3GRIK1
SCHEMBL1857332 0.89 LTA4H (0.52) LTA4HEPHX2PPARAMAPK14PPARG
SCHEMBL1857596 0.88 GRIK1 (0.55) PPARAPPARGMMP2MMP3GRIK1
SCHEMBL1862136 0.86 LTA4H (0.50) LTA4HEPHX2PPARAPPARGMMP2
SCHEMBL1861101 0.84 ALDH1A1 (0.53) MMP2MMP3KMT2AGRIK1PLAAT3
SCHEMBL1862879 0.81 PRSS1 (0.47) PPARAPPARGMMP2MMP3GRIK1
SCHEMBL1860416 0.80 GRIK1 (0.68) PPARAPPARGMMP2MMP3GRIK1
SCHEMBL1856418 0.79 ALDH1A1 (0.56) MMP2MMP3MEN1KMT2AGRIK1
SCHEMBL3466524 0.79 FDFT1 (0.51) PPARAMMP2MMP3FDFT1PLAAT3
SCHEMBL3467260 0.79 MMP2 (0.60) MMP2MMP3GRIK1FDFT1

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-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US claimed
WO-2009080722-A2 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2009-07-02 WO claimed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER CRYSTAX PHARMACEUTICALS, S.L. (ES) 2011-05-05 US disclosed
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 LTA4H 2258/4885EPHX2 1919/4885PPARA 3701/4885

“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.