SCHEMBL1856103

SCHEMBL1856103

CCC(CCc1ccccc1)C(=O)OC

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 3/20 0.50
TSHR P16473 1/20 0.49
MEN1 O00255 1/20 0.46
HTT P42858 1/20 0.46
HPGD P15428 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CNR2 P34972 1/20 0.45
CTSC P53634 1/20 0.45
MAPT P10636 1/20 0.44
L3MBTL1 Q9Y468 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
SCHEMBL16672978 0.89 CA1 (0.56) CA1CA2SMN1; SMN2KMT2A
SCHEMBL1859677 0.89 SMN1; SMN2 (0.50) CA1CA2SMN1; SMN2KMT2ATSHR
SCHEMBL18085413 0.87 SMN1; SMN2 (0.55) SMN1; SMN2KMT2ATSHRMEN1MAPT
SCHEMBL1859520 0.87 FOLH1 (0.52) SMN1; SMN2KMT2ATSHRMEN1ALDH1A1
SCHEMBL1859940 0.85 GRIK1 (0.51) SMN1; SMN2KMT2ATSHR
SCHEMBL1405655 0.85 KMT2A (0.53) SMN1; SMN2KMT2ATSHR
SCHEMBL9555874 0.85 KMT2A (0.53) SMN1; SMN2KMT2ATSHR
SCHEMBL4845257 0.85 KMT2A (0.49) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL7429699 0.84 SMN1; SMN2 (0.50) SMN1; SMN2KMT2ATSHRMEN1HTT
SCHEMBL1865669 0.84 FAAH (0.48) KMT2ATSHR

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 11 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
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 US disclosed
EP-3356356-A1 COMPOUNDS USEFUL AS MODULATORS OF TRPM8 Senomyx, Inc. (US) 2018-08-08 EP disclosed
EP-3269713-A1 PIPERIDINE DERIVATIVES AS NK1 ANTAGONISTS OPKO Health, Inc. (US) 2018-01-17 EP disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 EP disclosed
US-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 AUSPEX PHARMACEUTICALS, INC. (US) 2014-04-17 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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 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-20140107135-A1 PYRIMIDINONE INHIBITORS OF LIPOPROTEIN-ASSOCIATED PHOSPHOLIPASE A2 PLA2G1B, PLA2G4A, PLA2G4B CA1 4621/4885CA2 3540/4885SMN1; SMN2 4141/4885
US-20110105544-A1 CARBOXYLIC DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AKR1C3, TPD52L2, HCCS CA1 1276/4885CA2 898/4885SMN1; SMN2 2869/4885

“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.