SCHEMBL23295254

SCHEMBL23295254

CCC(C)CSc1ccc(C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PPARD Q03181 5/20 0.43
▸ HRH3 Q9Y5N1 7/20 0.42
▸ HRH1 P35367 3/20 0.42
▸ HRH4 Q9H3N8 3/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP2D6 P10635 2/20 0.42
▸ CYP2C19 P33261 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ SLC6A2 P23975 2/20 0.39
▸ SLC6A4 P31645 2/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ DAO P14920 1/20 0.38
▸ PDE2A O00408 2/20 0.38
▸ MAOA P21397 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ MAOB P27338 1/20 0.35

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
SCHEMBL20495529 0.84 ALDH1A1 (0.46) HRH3HRH4CYP3A4CYP2D6CYP2C19
SCHEMBL23295276 0.78 PDE2A (0.42) PPARDHRH3SLC6A2SLC6A4SLC6A3
SCHEMBL14017008 0.77 HPGD (0.45) SLC6A4MAOAALDH1A1MAOB
SCHEMBL7054031 0.77 PTGDR2 (0.48) HRH3CYP3A4CYP2C19CYP1A2SLC6A2
SCHEMBL19771848 0.76 HRH3 (0.43) PPARDHRH3HRH1HRH4CYP3A4
SCHEMBL9621560 0.76 HRH3 (0.40) PPARDHRH3HRH1HRH4CYP3A4
SCHEMBL23106578 0.76 MAOA (0.44) CYP3A4SLC6A4MAOAALDH1A1MAOB
SCHEMBL12475094 0.76 MAOA (0.63) SLC6A4MAOAMAOB
SCHEMBL24088816 0.75 MAOA (0.61) SLC6A4MAOAALDH1A1MAOB
SCHEMBL13074353 0.75 MAOA (0.61) SLC6A4MAOAALDH1A1MAOB

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-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 — — EP disclosed
EP-3592729-B1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-06-30 — — EP disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 — — US disclosed
US-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION STUDIENGESELLSCHAFT KOHLE MBH (DE) 2021-05-06 — — 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-20210130286-A1 CATALYTIC C-X-BOND METATHESIS THROUGH ARYLATION AOX1, TYR, CXXC4 PPARD 4171/4885HRH3 2433/4885HRH1 2560/4885

“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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