SCHEMBL823270

SCHEMBL823270

CCC(C)(Oc1ccc(C(=O)c2ccc(Oc3ccc(S(=O)(=O)c4ccc(Cl)cc4)cc3)cc2)cc1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PPARA Q07869 7/20 0.48
▸ PPARG P37231 2/20 0.48
▸ FABP2 P12104 1/20 0.48
▸ SLC22A12 Q96S37 1/20 0.48
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ HPGD P15428 2/20 0.44
▸ TDP1 Q9NUW8 2/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ ABCB11 O95342 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ PMP22 Q01453 2/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ MAPT P10636 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ USP2 O75604 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ ADORA3 P0DMS8 1/20 0.44

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
SCHEMBL13266241 0.95 PPARA (0.44) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL823268 0.92 CYP3A4 (0.43) PPARACYP1A2CYP3A4HPGDTDP1
SCHEMBL12113481 0.87 ALDH1A1 (0.39) PPARACYP1A2CYP3A4HPGDTDP1
SCHEMBL13266246 0.86 CYP3A4 (0.38) PPARACYP1A2CYP3A4HPGDTDP1
SCHEMBL10227932 0.86 ELANE (0.45) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL23094998 0.85 PPARA (0.42) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL12113475 0.83 CYP3A4 (0.36) PPARACYP1A2CYP3A4TDP1SMN1; SMN2
SCHEMBL10227928 0.83 CNR1 (0.48) PPARAPPARGFABP2SLC22A12CYP1A2
SCHEMBL10163904 0.83 CYP3A4 (0.36) PPARACYP1A2CYP3A4HPGDTDP1
SCHEMBL10227059 0.82 PPARA (0.38) PPARACYP3A4TDP1SMN1; SMN2MEN1

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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED 2011-11-10 — — 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-20110275859-A1 METHOD FOR MANUFACTURING CONJUGATED AROMATIC COMPOUND C9, H1-10, CYP1A1 PPARA 2635/4885PPARG 2495/4885FABP2 3162/4885

“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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