SCHEMBL12646397

SCHEMBL12646397

Cc1ccccc1-c1ccc(OCC(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 1/20 0.59
▸ FFAR1 O14842 6/20 0.58
▸ PPARG P37231 3/20 0.55
▸ PPARA Q07869 2/20 0.55
▸ PPARD Q03181 2/20 0.53
▸ ACACA Q13085 1/20 0.53
▸ MAPT P10636 2/20 0.53
▸ PTPN7 P35236 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ KMT2A Q03164 1/20 0.53
▸ PTPN12 Q05209 1/20 0.53
▸ SMN1; SMN2 Q16637 2/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ FFAR4 Q5NUL3 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
SCHEMBL12646396 0.83 PTPN1 (0.63) PPARGPPARAMAPTALDH1A1NPC1
SCHEMBL422442 0.81 ALOX15 (0.76) ALOX15FFAR1PPARGPPARAPPARD
SCHEMBL28715921 0.80 ACACA (0.56) ALOX15FFAR1PPARGPPARAPPARD
SCHEMBL6808855 0.79 ALOX15 (0.53) ALOX15FFAR1PPARGPPARDACACA
SCHEMBL23309077 0.79 FFAR1 (0.72) FFAR1FFAR4
SCHEMBL2780802 0.78 ALOX15 (0.71) ALOX15FFAR1PPARGPPARAPPARD
SCHEMBL8682345 0.78 PPARG (0.55) FFAR1PPARGPPARAMAPTMEN1
SCHEMBL14539085 0.78 NPC1 (0.61) FFAR1PPARGPPARAMAPTALDH1A1
SCHEMBL421532 0.78 L3MBTL1 (0.59) ALOX15FFAR1MAPTALDH1A1SMN1; SMN2
Alcohol SCHEMBL27641690 0.77 ALOX15 (0.83) ALOX15FFAR1MAPTPTPN7MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES SYDDANSK UNIVERSITET 2011-06-23 — — 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-20110152315-A1 COMPOUNDS FOR THE TREATMENT OF METABOLIC DISEASES GPR119, INSR, GPR65 ALOX15 763/4885FFAR1 6/4885PPARG 42/4885

“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.

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