SCHEMBL1860416

SCHEMBL1860416

O=C(O)C(CCCc1ccccc1)CCc1ccccc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.68
MMP2 P08253 2/20 0.55
MMP3 P08254 2/20 0.55
MMP1 P03956 1/20 0.55
MMP9 P14780 1/20 0.55
MMP8 P22894 1/20 0.55
FOLH1 Q04609 1/20 0.54
CYP1A2 P05177 1/20 0.53
HDAC3 O15379 1/20 0.52
MAPK1 P28482 1/20 0.52
ADRA1A P35348 1/20 0.52
HDAC4 P56524 1/20 0.52
SLC6A3 Q01959 1/20 0.52
HDAC1 Q13547 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52

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
SCHEMBL1856639 0.96 GRIK1 (0.72) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1862995 0.94 GRIK1 (0.61) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1857365 0.92 CYP1A2 (0.61) GRIK1FOLH1CYP1A2CPB2CPA3
SCHEMBL1861903 0.92 GRIK1 (0.59) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1866243 0.92 GRIK1 (0.59) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1857315 0.90 GRIK1 (0.57) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1857504 0.90 GRIK1 (0.57) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1869496 0.90 GRIK1 (0.61) GRIK1MMP2MMP3MMP1MMP9
Water SCHEMBL4010621 0.90 CYP1A2 (0.59) GRIK1FOLH1CYP1A2CPB2CPA3
SCHEMBL7867491 0.89 GRIK1 (0.64) GRIK1MMP2MMP3MMP1MMP9

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
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 3852/4885MMP2 2326/4885MMP3 3246/4885

“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.