SCHEMBL1860153

SCHEMBL1860153

O=C(O)C(CCCc1ccc2ccccc2c1)CCc1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.57
GRIK1 P39086 1/20 0.54
HDAC1 Q13547 2/20 0.48
GRIN2D O15399 1/20 0.48
GRIN2A Q12879 1/20 0.48
GRIN2B Q13224 1/20 0.48
GRIN2C Q14957 1/20 0.48
HDAC8 Q9BY41 1/20 0.48
MMP2 P08253 2/20 0.47
MMP3 P08254 2/20 0.47
SIGMAR1 Q99720 2/20 0.46
SOX18 P35713 1/20 0.46
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP8 P22894 1/20 0.45
SIRT5 Q9NXA8 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
SCHEMBL17979651 0.89 CYP1A2 (0.57) CYP1A2GRIK1HDAC1GRIN2DGRIN2A
SCHEMBL1860416 0.86 GRIK1 (0.68) CYP1A2GRIK1HDAC1HDAC8MMP2
SCHEMBL1858681 0.85 CYP1A2 (0.51) CYP1A2HDAC1GRIN2DGRIN2AGRIN2B
SCHEMBL10521171 0.84 FOLH1 (0.56) CYP1A2HDAC1HDAC8SIGMAR1
SCHEMBL1856639 0.83 GRIK1 (0.72) CYP1A2GRIK1HDAC1HDAC8MMP2
SCHEMBL1866243 0.82 GRIK1 (0.59) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1861903 0.82 GRIK1 (0.59) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1862995 0.81 GRIK1 (0.61) CYP1A2GRIK1HDAC1HDAC8MMP2
SCHEMBL1857491 0.81 GRIK1 (0.55) GRIK1MMP2MMP3MMP1MMP9
SCHEMBL1857596 0.81 GRIK1 (0.55) GRIK1MMP2MMP3

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 CYP1A2 158/4885GRIK1 3852/4885HDAC1 1153/4885

“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.