SCHEMBL1858161

SCHEMBL1858161

O=C(O)C(CCCc1cccc2ccccc12)CCc1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.52
GRIK1 P39086 1/20 0.50
SIGMAR1 Q99720 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
METAP2 P50579 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
MCL1 Q07820 2/20 0.46
MTNR1A P48039 1/20 0.44
CTNNB1 P35222 1/20 0.44
FFAR1 O14842 1/20 0.44
AKR1B1 P15121 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
SCHEMBL1862472 0.91 KMT2A (0.47) KMT2AGRIK1SIGMAR1TDP1METAP2
SCHEMBL8890206 0.88 TDP1 (0.56) KMT2ATDP1HRH4MCL1MTNR1A
SCHEMBL10521941 0.87 SIGMAR1 (0.53) KMT2AGRIK1SIGMAR1TDP1METAP2
SCHEMBL1859870 0.85 KMT2A (0.53) KMT2ASIGMAR1TDP1METAP2MTNR1A
SCHEMBL1857173 0.85 MMP2 (0.42) KMT2AGRIK1MCL1FFAR1AKR1B1
SCHEMBL7926499 0.85 PTPN1 (0.53) KMT2ATDP1MCL1MTNR1AFFAR1
SCHEMBL7924568 0.85 MMP12 (0.48) KMT2ASIGMAR1MCL1FFAR1AKR1B1
SCHEMBL7929539 0.85 MMP2 (0.48) KMT2ASIGMAR1FFAR1AKR1B1
SCHEMBL10521472 0.83 SIGMAR1 (0.52) KMT2AGRIK1SIGMAR1TDP1METAP2
SCHEMBL8868604 0.83 CTNNB1 (0.46) KMT2ATDP1HRH4MCL1MTNR1A

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 KMT2A 2127/4885GRIK1 3852/4885SIGMAR1 319/4885

“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.