SCHEMBL13850049

SCHEMBL13850049

CCCC(O)Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 3/20 0.55
▸ PPARG P37231 3/20 0.50
▸ PPARA Q07869 3/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HSD17B10 Q99714 1/20 0.50
▸ ALDH1A1 P00352 3/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48
▸ LMNA P02545 1/20 0.48
▸ MME P08473 1/20 0.47
▸ ACE P12821 1/20 0.47
▸ CPA1 P15085 1/20 0.47
▸ ACE2 Q9BYF1 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ FDFT1 P37268 2/20 0.46
▸ PTGES O14684 1/20 0.45
▸ FFAR1 O14842 1/20 0.44
▸ HTT P42858 1/20 0.43

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
SCHEMBL14402644 1.00 CETP (0.55) CETPPPARGPPARATSHRHSD17B10
SCHEMBL27417613 0.88 PPARG (0.52) CETPPPARGPPARATSHRHSD17B10
SCHEMBL13849941 0.84 TAAR1 (0.58) TSHR
SCHEMBL14402407 0.84 TAAR1 (0.58) TSHR
SCHEMBL13849891 0.84 TAAR1 (0.58) TSHR
SCHEMBL24106466 0.83 ALDH1A1 (0.49) CETPPPARGPPARATSHRHSD17B10
SCHEMBL15178077 0.83 TAAR1 (0.45) CETPTSHRTDP1
SCHEMBL14402705 0.82 TAAR1 (0.44) CETPPPARGPPARA
SCHEMBL27338431 0.81 PTGES (0.52) CETPPPARGPPARATSHRHSD17B10
SCHEMBL13849895 0.81 CETP (0.46) CETPPPARGPPARATSHRTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1847533-B1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2013-08-14 — — EP disclosed
US-7531533-B2 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-05-12 — — US disclosed
EP-1847533-A1 SIX-MEMBERED HETEROCYCLIC COMPOUND AND THE USE THEREOF Asahi Kasei Pharma Corporation (JP) 2007-10-24 — — EP disclosed
US-20070060590-A1 6-Membered heterocyclic compound and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2007-03-15 — — 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-20070060590-A1 6-Membered heterocyclic compound and use thereof WNT1, CYP11B2, CYP11B1 CETP 3180/4885PPARG 390/4885PPARA 1443/4885

“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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