SCHEMBL1866243

SCHEMBL1866243

O=C(O)C(CCCc1ccccc1)CCc1ccc(O)cc1

nearest known ligand 0.64

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.59
ANPEP P15144 2/20 0.53
ERAP2 Q6P179 2/20 0.53
ERAP1 Q9NZ08 2/20 0.53
LAP3 P28838 1/20 0.53
ENPEP Q07075 1/20 0.53
TRPV1 Q8NER1 4/20 0.51
DPP4 P27487 2/20 0.50
MMP1 P03956 1/20 0.49
MMP2 P08253 1/20 0.49
MMP3 P08254 1/20 0.49
MMP9 P14780 1/20 0.49
MMP8 P22894 1/20 0.49
PLAAT3 P53816 1/20 0.48
PLAAT5 Q96KN8 1/20 0.48
PLAAT2 Q9NWW9 1/20 0.48
PLAAT4 Q9UL19 1/20 0.48

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
SCHEMBL1860416 0.92 GRIK1 (0.68) GRIK1ERAP2ERAP1LAP3MMP1
SCHEMBL23470222 0.89 FOLH1 (0.62) GRIK1ANPEPERAP2ERAP1LAP3
SCHEMBL1856639 0.88 GRIK1 (0.72) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL1861903 0.87 GRIK1 (0.59) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL28907461 0.86 TRPV1 (0.52) GRIK1TRPV1DPP4
SCHEMBL1862995 0.86 GRIK1 (0.61) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL1857491 0.86 GRIK1 (0.55) GRIK1ANPEPERAP2ERAP1MMP1
SCHEMBL1869496 0.86 GRIK1 (0.61) GRIK1ANPEPERAP2ERAP1LAP3
SCHEMBL1857315 0.86 GRIK1 (0.57) GRIK1MMP1MMP2MMP3MMP9
SCHEMBL1857504 0.86 GRIK1 (0.57) GRIK1MMP1MMP2MMP3MMP9

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 GRIK1 3852/4885ANPEP 3442/4885ERAP2 4603/4885

“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.