SCHEMBL1862136

SCHEMBL1862136

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

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.50
EPHX2 P34913 2/20 0.50
GRIK1 P39086 1/20 0.50
MMP2 P08253 2/20 0.47
MMP3 P08254 1/20 0.47
PPARG P37231 4/20 0.47
PPARA Q07869 3/20 0.47
MMP12 P39900 1/20 0.46
MMP13 P45452 1/20 0.46
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
FFAR1 O14842 1/20 0.46
LMNA P02545 1/20 0.45
PLAAT3 P53816 1/20 0.44
PLAAT5 Q96KN8 1/20 0.44
PLAAT2 Q9NWW9 1/20 0.44
PLAAT4 Q9UL19 1/20 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
SCHEMBL1857596 0.92 GRIK1 (0.55) GRIK1MMP2MMP3PPARGPPARA
SCHEMBL7924101 0.88 GRIK1 (0.54) GRIK1MMP2MMP3PPARGMMP12
SCHEMBL1855993 0.88 LTA4H (0.49) LTA4HEPHX2MMP2MMP3PPARG
SCHEMBL1861101 0.87 ALDH1A1 (0.53) GRIK1MMP2MMP3ALOX5PLAAT3
SCHEMBL1860684 0.86 LTA4H (0.53) LTA4HEPHX2GRIK1MMP2MMP3
SCHEMBL1862879 0.84 PRSS1 (0.47) GRIK1MMP2MMP3PPARGPPARA
SCHEMBL1860416 0.83 GRIK1 (0.68) GRIK1MMP2MMP3PPARGPPARA
SCHEMBL1856418 0.82 ALDH1A1 (0.56) GRIK1MMP2MMP3ALOX5PLAAT3
SCHEMBL1856449 0.81 LTA4H (0.60) LTA4HEPHX2GRIK1MMP2MMP3
SCHEMBL1861512 0.81 LPAR1 (0.55) GRIK1MMP2MMP3PPARGPPARA

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 7 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
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 1919/4885GRIK1 3852/4885

“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.