SCHEMBL1856529

SCHEMBL1856529

CC(=O)OCOC(=O)C(CCCc1ccccc1)CCc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.50
EPHX2 P34913 1/20 0.50
MMP12 P39900 1/20 0.49
FFAR1 O14842 3/20 0.49
FFAR4 Q5NUL3 1/20 0.49
MMP2 P08253 1/20 0.48
MMP3 P08254 1/20 0.48
MAOB P27338 1/20 0.47
ALOX5 P09917 2/20 0.46
BCHE P06276 2/20 0.46
PTGS1 P23219 1/20 0.45
PTGS2 P35354 1/20 0.45
LTB4R Q15722 1/20 0.45
LTB4R2 Q9NPC1 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
ACACB O00763 2/20 0.44
ACACA Q13085 2/20 0.44
MGLL Q99685 2/20 0.44

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
SCHEMBL8035628 0.90 PPARG (0.48) FFAR1MMP2MMP3ALOX5
SCHEMBL1863760 0.89 GRIK1 (0.47) MMP12MMP2MMP3ALOX5
SCHEMBL1865673 0.86 LTA4H (0.55) LTA4HEPHX2MMP12FFAR1FFAR4
SCHEMBL1856449 0.83 LTA4H (0.60) LTA4HEPHX2MMP12FFAR1FFAR4
SCHEMBL1857509 0.80 F2 (0.50) LTA4HEPHX2MMP12FFAR1FFAR4
SCHEMBL27439147 0.79 LTA4H (0.58) LTA4HEPHX2MMP12FFAR1FFAR4
SCHEMBL27439146 0.79 LTA4H (0.58) LTA4HEPHX2MMP12FFAR1FFAR4
SCHEMBL6713184 0.79 LMNA (0.57) LTA4HEPHX2MMP12FFAR1FFAR4
SCHEMBL1855513 0.78 ALDH1A1 (0.47) MMP12
SCHEMBL6716210 0.77 FFAR1 (0.61) LTA4HEPHX2MMP12FFAR1FFAR4

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 5 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
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 1919/4885MMP12 4329/4885

“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.