SCHEMBL1865669

SCHEMBL1865669

COC(=O)C(CCCCc1ccccc1)CCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.48
KMT2A Q03164 1/20 0.47
FOLH1 Q04609 1/20 0.47
GRIK1 P39086 1/20 0.47
MMP1 P03956 2/20 0.46
MMP2 P08253 2/20 0.46
MMP3 P08254 2/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
TSHR P16473 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
SCHEMBL1859940 0.95 GRIK1 (0.51) KMT2AFOLH1GRIK1MMP2MMP3
SCHEMBL1856107 0.93 FAAH (0.46) FAAHFOLH1MMP1MMP2MMP3
SCHEMBL1858600 0.92 GRIK1 (0.54) KMT2AFOLH1GRIK1MMP2MMP3
SCHEMBL16672819 0.91 BIRC2 (0.48) FAAHKMT2AFOLH1GRIK1
SCHEMBL16673076 0.91 CA1 (0.54) MMP2MMP3
SCHEMBL5966557 0.89 FOLH1 (0.55) FAAHKMT2AFOLH1MMP1MMP3
SCHEMBL16672978 0.89 CA1 (0.56) FAAHKMT2AFOLH1GRIK1
SCHEMBL1860059 0.88 MMP12 (0.53) GRIK1MMP2MMP3
SCHEMBL1856222 0.88 OPRK1 (0.49) GRIK1
SCHEMBL1859888 0.87 MAOB (0.50) KMT2AFOLH1GRIK1MMP2

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 2 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 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 FAAH 4481/4885KMT2A 2127/4885FOLH1 1635/4885

“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.