SCHEMBL1123321

SCHEMBL1123321

Cc1nc2ccccc2nc1OCCOc1cccc(C(=O)O)c1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.57
▸ TSHR P16473 1/20 0.55
▸ GPBAR1 Q8TDU6 1/20 0.54
▸ CYSLTR1 Q9Y271 1/20 0.54
▸ KDM4E B2RXH2 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ NR4A2 P43354 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ PLA2G4B P0C869 1/20 0.47
▸ NR1H4 Q96RI1 3/20 0.46
▸ TBXAS1 P24557 1/20 0.46
▸ PPARD Q03181 1/20 0.46
▸ PKM P14618 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ AKR1C3 P42330 1/20 0.46

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
SCHEMBL1122629 0.88 CYSLTR1 (0.57) TSHRCYSLTR1KDM4EALDH1A1L3MBTL1
SCHEMBL1122737 0.86 PKM (0.60) TSHRGPBAR1KDM4EALDH1A1NR4A2
SCHEMBL6932542 0.79 KMT2A (0.75) KMT2ANR4A2L3MBTL1PLA2G4BNR1H4
SCHEMBL10787479 0.79 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4TBXAS1
SCHEMBL30167982 0.79 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4TBXAS1
SCHEMBL1122793 0.78 L3MBTL1 (0.47) KMT2ANR4A2L3MBTL1
SCHEMBL5936640 0.77 PARP10 (0.60) TSHRKDM4EALDH1A1L3MBTL1PKM
SCHEMBL5936690 0.76 PDPK1 (0.55) KMT2ATSHRKDM4EALDH1A1TBXAS1
SCHEMBL1123053 0.76 MAPT (0.63) TSHRKDM4EALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL9803295 0.76 KMT2A (0.80) KMT2ANR4A2PLA2G4BNR1H4TBXAS1

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
EP-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 — — EP disclosed
US-20060160894-A1 Benzamides as ppar modulators LABORATORIOS S.A.L.V.A.T.,S.A. (ES) 2006-07-20 — — 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-20060160894-A1 Benzamides as ppar modulators PPARD, PPARA, PPARG KMT2A 1515/4885TSHR 240/4885GPBAR1 173/4885

“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.

Send feedback