SCHEMBL474614

SCHEMBL474614

CCN1C(=O)COc2ccccc21

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.59
KMT2A Q03164 4/20 0.57
MEN1 O00255 3/20 0.57
ALDH1A1 P00352 2/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
TP53 P04637 2/20 0.53
CBX7 O95931 1/20 0.52
CDYL2 Q8N8U2 1/20 0.52
CDYL Q9Y232 1/20 0.52
CDY1; CDY1B Q9Y6F8 1/20 0.52
GAA P10253 1/20 0.52
HTT P42858 1/20 0.51
USP2 O75604 1/20 0.51

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
SCHEMBL9214610 0.87 ALDH1A1 (0.58) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL16264966 0.84 DRD2 (0.58) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL14108085 0.83 NOTUM (0.46) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL12933359 0.82 TSHR (0.56) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL15423258 0.82 DRD2 (0.56) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4432608 0.81 KMT2A (0.67) TSHRKMT2AMEN1ALDH1A1POLB
SCHEMBL7358743 0.80 ALDH1A1 (0.61) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL4428995 0.80 TSHR (0.57) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL15690661 0.80 ALDH1A1 (0.58) TSHRL3MBTL1KMT2AMEN1ALDH1A1
SCHEMBL3641417 0.80 ALDH1A1 (0.58) TSHRL3MBTL1KMT2AMEN1ALDH1A1

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 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023192901-A9 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-12-14 WO disclosed
WO-2023192901-A1 QUINOLINE DERIVATIVES AS MODULATORS OF MAS-RELATED G-PROTEIN RECEPTOR X2 AND RELATED PRODUCTS ESCIENT PHARMACEUTICALS, INC. (US) 2023-10-05 WO disclosed
EP-1317013-B1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEM CORP (JP) 2017-03-15 EP disclosed
EP-2411365-B1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN LA ROCHE (CH) 2014-03-19 EP disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-8658639-B2 N-substituted-cyclic amino derivative DAINIPPON SUMITOMO PHARMA CO., LTD (JP) 2014-02-25 US disclosed
US-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE INC. (US) 2013-07-04 US disclosed
US-8450313-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2013-05-28 US disclosed
US-8268820-B2 2,3-diaryl- or heteroaryl-substituted 1,1,1-trifluoro-2-hydroxypropyl compounds HOFFMANN-LA ROCHE INC. (US) 2012-09-18 US disclosed
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HUNZIKER DANIEL (CH) 2012-09-13 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2012-05-17 US disclosed
EP-2411365-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. Hoffmann-La Roche AG (CH) 2012-02-01 EP disclosed
WO-2010108903-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS F. HOFFMANN-LA ROCHE AG (CH) 2010-09-30 WO disclosed
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS HOFFMANN-LA ROCHE, INC. 2010-09-30 US disclosed
US-6942948-B2 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-09-13 US disclosed
WO-2004069823-A1 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2004-08-19 WO disclosed
US-20030165733-A1 Nonaqueous electrolyte solution and secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2003-09-04 US disclosed
EP-1317013-A1 NON-AQUEOUS ELECTROLYTE AND SECONDARY CELL USING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2003-06-04 EP disclosed
WO-2003024448-A2 INHIBITORS OF HISTONE DEACETYLASE METHYLGENE, INC. (CA) 2003-03-27 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 (4 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-20130172335-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R TSHR 138/4885L3MBTL1 1354/4885KMT2A 1467/4885
US-20100249124-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R TSHR 136/4885L3MBTL1 1417/4885KMT2A 1576/4885
US-20120232071-A1 2,3-DIARYL- OR HETEROARYL-SUBSTITUTED 1,1,1-TRIFLUORO-2-HYDROXYPROPYL COMPOUNDS NR3C1, NR3C2, MC2R TSHR 138/4885L3MBTL1 1354/4885KMT2A 1467/4885
US-20120122773-A1 N-SUBSTITUTED-CYCLIC AMINO DERIVATIVE REN, AGTR1, AGTR2 TSHR 1316/4885L3MBTL1 2743/4885KMT2A 1646/4885

“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.