SCHEMBL1857645

SCHEMBL1857645

O=C(O)C(C/C=C/c1ccccc1)CCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 10/20 0.60
GRIK2 Q13002 10/20 0.60
CYP1A2 P05177 2/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPK1 P28482 1/20 0.49
CYP2C19 P33261 1/20 0.49
GRIK3 Q13003 2/20 0.47
PAM P19021 1/20 0.46

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
SCHEMBL1857647 1.00 GRIK1 (0.60) GRIK1GRIK2CYP1A2ALDH1A1CYP3A4
SCHEMBL3466551 0.87 FFAR1 (0.51) GRIK1GRIK2
SCHEMBL3466547 0.87 FFAR1 (0.51) GRIK1GRIK2
SCHEMBL1859895 0.84 ALDH1A1 (0.50) GRIK1GRIK2CYP1A2ALDH1A1CYP3A4
SCHEMBL7005960 0.84 GRIK1 (0.63) GRIK1GRIK2GRIK3PAM
SCHEMBL1859901 0.81 GRIK1 (0.45) GRIK1GRIK2CYP1A2ALDH1A1CYP3A4
SCHEMBL1748144 0.80 CYP1A2 (0.50) GRIK1CYP1A2
SCHEMBL1857365 0.79 CYP1A2 (0.61) GRIK1CYP1A2
SCHEMBL7923446 0.79 MMP12 (0.57) GRIK1GRIK2
SCHEMBL3252009 0.79 GRIK1 (0.57) GRIK1GRIK2GRIK3

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 3852/4885GRIK2 4227/4885CYP1A2 158/4885

“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.