SCHEMBL4131826

SCHEMBL4131826

CON(C([O])=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.43
TSHR P16473 3/20 0.41
ALDH1A1 P00352 2/20 0.41
GLA P06280 1/20 0.41
KDM4E B2RXH2 2/20 0.41
HPGD P15428 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KMT2A Q03164 6/20 0.39
MTNR1A P48039 2/20 0.39
MTNR1B P49286 2/20 0.39
MEN1 O00255 4/20 0.39
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HTT P42858 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37

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
SCHEMBL2325685 0.84 NPSR1 (0.44) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL8392334 0.83 NPSR1 (0.43) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL9505872 0.83 KMT2A (0.46) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL6037494 0.81 NPSR1 (0.41) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL5933060 0.81 NPSR1 (0.41) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL13499619 0.81 L3MBTL1 (0.46) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL11396848 0.81 NPSR1 (0.41) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL5933049 0.81 NPSR1 (0.41) NPSR1TSHRALDH1A1GLAKDM4E
SCHEMBL4526462 0.79 HPGD (0.50) NPSR1TSHRALDH1A1KDM4EHPGD
SCHEMBL5143744 0.78 KMT2A (0.41) NPSR1TSHRALDH1A1GLAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8551991-B2 1,2,3,4-tetrahydroquinoxaline derivative having glucocorticoid receptor binding activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-10-08 US disclosed
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-04-30 US disclosed
WO-2007057428-A1 CHROMOPHORE CONTAINING LIGANDS FOR CHARACTERISATION OF RECEPTORS FOR BINDING AND ACTIVATION EPFL - ECOLE POLYTECHNIQUE FEDERALE DE LAUSANNE (CH) 2007-05-24 WO disclosed
US-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus MITSUI CHEMICALS, INC. (JP) 2006-04-27 US disclosed
EP-1484191-A1 REWRITABLE OPTICAL INFORMATION RECORDING MEDIUM AND RECORDING/REPRODUCING METHOD, RECORDING/REPRODUCING DEVICE Sony Corporation (JP) 2004-12-08 EP 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-20060088786-A1 Rewritable optical information recording medium, recording and reproducing methods, as well as recording and reproducing apparatus ALPG, TRPC6, GNRHR NPSR1 2002/4885TSHR 1237/4885ALDH1A1 2071/4885
US-20090111807-A1 Novel 1,2,3,4-Tetrahydroquinoxaline Derivative Having Glucocorticoid Receptor Binding Activity NR3C1, NR3C2, MC2R NPSR1 115/4885TSHR 119/4885ALDH1A1 3680/4885

“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.