SCHEMBL4760100

SCHEMBL4760100

CC(C)c1ccc(C(=O)O)c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.43
LMNA P02545 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
KDM4E B2RXH2 3/20 0.38
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38
GABRA2 P47869 2/20 0.38
GABRB2 P47870 2/20 0.38
GABRA4 P48169 2/20 0.38
GABRE P78334 2/20 0.38
GABRA6 Q16445 2/20 0.38
GABRG1 Q8N1C3 2/20 0.38
GABRG3 Q99928 2/20 0.38

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
SCHEMBL22868123 0.84 NNMT (0.38) KDM4ECASP1ALDH1A1POLBTDP1
SCHEMBL20841811 0.83 SMN1; SMN2 (0.44) SMN1; SMN2LMNAKEAP1NFE2L2KDM4E
SCHEMBL31481122 0.81 SMN1; SMN2 (0.43) SMN1; SMN2LMNAKEAP1NFE2L2KDM4E
SCHEMBL19667222 0.81 KEAP1 (0.46) SMN1; SMN2LMNAKEAP1NFE2L2KDM4E
SCHEMBL9690501 0.79 GABRP (0.39) SMN1; SMN2KDM4EGABRPGABRDGABRA1
SCHEMBL19706424 0.79 GABRP (0.56) SMN1; SMN2KDM4EGABRPGABRDGABRA1
SCHEMBL28798115 0.78 RXFP1 (0.39) SMN1; SMN2KDM4EGABRPGABRDGABRA1
SCHEMBL19913396 0.78 GABRP (0.46) KDM4EGABRPGABRDGABRA1GABRB1
SCHEMBL11078351 0.77 ALDH1A1 (0.38) SMN1; SMN2KDM4EGABRPGABRDGABRA1
SCHEMBL5857519 0.77 ALDH1A1 (0.46) SMN1; SMN2KDM4EGABRA2GABRB2TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023118092-A1 PYRAZOLO[1,5-A]PYRIDO[3,2-E]PYRIMIDINES AND PYRAZOLO[1,5-A][1,3]THIAZOLO[5,4-E]PYRIMIDINES AS P2X3 INHIBITORS FOR THE TREATMENT OF NEUROGENIC DISORDERS BAYER AKTIENGESELLSCHAFT (DE) 2023-06-29 WO disclosed
US-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative MITSUBISHI TANABE PHARMA CORPORATION (JP) 2008-08-14 US disclosed
EP-1852431-A1 OPTICALLY ACTIVE TETRAHYDRONAPHTHALENE DERIVATIVE MITSUBISHI PHARMA CORPORATION (JP) 2007-11-07 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 (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-20080194640-A1 Optically Active Tetrahydronaphthalene Derivative C3AR1, C5AR1, C5AR2 SMN1; SMN2 2603/4885LMNA 2928/4885KEAP1 903/4885

“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.