SCHEMBL13042083

SCHEMBL13042083

CC(C)(OCc1ccc(Cn2ccc(C(=O)c3ccc(C(F)(F)F)cc3)c2)cc1)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SRD5A2 P31213 2/20 0.43
▸ PPARA Q07869 7/20 0.41
▸ PPARD Q03181 6/20 0.41
▸ MAOB P27338 2/20 0.40
▸ PPARG P37231 4/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SLC16A3 O15427 1/20 0.38
▸ SLC16A1 P53985 1/20 0.38
▸ MCTS1 Q9ULC4 1/20 0.38
▸ PTGDR2 Q9Y5Y4 2/20 0.38

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
SCHEMBL8935846 0.80 PPARA (0.50) SRD5A2PPARAPPARDMAOBPPARG
SCHEMBL13205914 0.79 HDAC1 (0.41) SRD5A2PPARAPPARDMAOBPPARG
SCHEMBL28274086 0.72 KDM4E (0.51) SRD5A2MAOBKDM4E
SCHEMBL2985001 0.68 SRD5A2 (0.40) SRD5A2PPARAPPARG
SCHEMBL11551303 0.67 PPARA (0.68) SRD5A2PPARAPPARDPPARG
SCHEMBL8935661 0.66 SLC16A3 (0.46) PPARAMAOBPPARGKDM4ESLC16A3
SCHEMBL2981014 0.66 ALDH1A1 (0.44) SRD5A2
SCHEMBL883026 0.64 SLC16A3 (0.55) PPARAPPARDPPARGSLC16A3SLC16A1
SCHEMBL27932511 0.64 SRD5A2 (0.86) SRD5A2MAOB
SCHEMBL648641 0.64 SRD5A2 (0.83) SRD5A2

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-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — US disclosed
US-20100286144-A1 HETEROARYL DERIVATIVES TAKAHASHI YOKO 2010-11-11 — — 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-20100286144-A1 HETEROARYL DERIVATIVES GPR119, SLC2A1, SLC2A4 SRD5A2 110/4885PPARA 489/4885PPARD 801/4885

“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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