SCHEMBL4425397

SCHEMBL4425397

Cc1cc(OCC(C)OCc2ccccc2)ccc1CO

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.44
S1PR5 Q9H228 1/20 0.44
FFAR1 O14842 2/20 0.38
MAOB P27338 4/20 0.38
PPARG P37231 3/20 0.38
PPARD Q03181 3/20 0.38
PPARA Q07869 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
FFAR4 Q5NUL3 1/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALOX5 P09917 1/20 0.37
CYP4F2 P78329 1/20 0.37
CYP4A11 Q02928 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
SCHEMBL695873 0.83 S1PR1 (0.57) S1PR1S1PR5FFAR1MAOBMEN1
SCHEMBL4163135 0.77 S1PR1 (0.46) S1PR1S1PR5FFAR1MAOBL3MBTL1
SCHEMBL3727305 0.77 KMT2A (0.45) MEN1KMT2AMAPTALOX12LMNA
SCHEMBL14461599 0.77 LMNA (0.53) MAOBMEN1KMT2AMAPTLMNA
SCHEMBL4173929 0.76 S1PR1 (0.46) S1PR1S1PR5FFAR1MAOBPPARG
SCHEMBL3507472 0.75 AOC3 (0.49) MAOBMEN1KMT2ALMNAL3MBTL1
SCHEMBL4701130 0.75 TSHR (0.48) MAOBMEN1KMT2ALMNA
SCHEMBL2713885 0.73 KMT2A (0.41) MAOBMEN1KMT2AL3MBTL1
SCHEMBL13862070 0.73 ALOX5 (0.38) FFAR1MAOBPPARGPPARDPPARA
SCHEMBL8256225 0.73 SLC6A4 (0.43) MAOBMEN1KMT2AALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7635684-B2 treatment of disease associated with hyperglycemia: diabetes, impaired glucose tolerance, impaired fasting glycemia, diabetic complications or obesity; e.g. -[(4-{3-[N-(Carbamoylmethyl)-N-(methanesulfonyl)amino]-propoxy}-2-methylphenyl)methyl]-3-( beta -D-glucopyranosyloxy)-5-isopropyl-1H-pyrazole KISSEI PHARMACEUTICAL CO., LTD. (JP) 2009-12-22 US disclosed
US-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof KISSEI PHARMACEUTICAL CO., LTD. (JP) 2005-12-08 US 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-20050272669-A1 Pyrazole derivatives, medicinal composition containing the same, medicinal use thereof, and intermediate for production thereof UGGT1, GCKR, SLC5A1 S1PR1 1758/4885S1PR5 2408/4885FFAR1 414/4885

“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.