SCHEMBL1858600

SCHEMBL1858600

COC(=O)C(CCCc1ccccc1)CCCc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 1/20 0.54
KMT2A Q03164 2/20 0.51
FOLH1 Q04609 1/20 0.50
MMP2 P08253 4/20 0.49
MMP3 P08254 2/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
POLB P06746 1/20 0.49
LMNA P02545 2/20 0.49
PKM P14618 1/20 0.48
NPC1 O15118 1/20 0.47
RECQL P46063 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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 0.97 GRIK1 (0.51) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL7005882 0.94 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL16149007 0.94 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL1857901 0.94 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL28742910 0.92 GRIK1 (0.48) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL1865669 0.92 FAAH (0.48) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL9574068 0.91 MMP2 (0.57) MMP2MMP3
SCHEMBL6580378 0.91 GRIK1 (0.49) GRIK1KMT2AFOLH1MMP2MMP3
SCHEMBL12162457 0.91 MMP2 (0.57) MMP2MMP3
SCHEMBL1860059 0.90 MMP12 (0.53) 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 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 GRIK1 3852/4885KMT2A 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.