SCHEMBL3884827

SCHEMBL3884827

COC(=O)CCc1cc(N)c(OCCC(C)C)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 2/20 0.48
▸ CDK8 P49336 2/20 0.48
▸ THRA P10827 1/20 0.41
▸ THRB P10828 1/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A4 P31645 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ PTPN1 P18031 3/20 0.39
▸ REN P00797 1/20 0.38
▸ MGAM O43451 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36
▸ PPARG P37231 2/20 0.36
▸ PPARA Q07869 2/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ AKR1C2 P52895 1/20 0.35
▸ TLR8 Q9NR97 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ PPARD Q03181 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
SCHEMBL28772884 0.90 CCNC (0.49) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3882491 0.90 THRA (0.53) CCNCCDK8THRATHRBSLC6A2
SCHEMBL27627133 0.88 CCNC (0.49) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3889870 0.87 CCNC (0.48) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL27607975 0.87 CCNC (0.48) CCNCCDK8THRATHRBSLC6A2
SCHEMBL3894659 0.86 CCNC (0.48) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3892618 0.85 CCNC (0.47) CCNCCDK8SLC6A2SLC6A4SLC6A3
SCHEMBL3881634 0.85 CCNC (0.45) CCNCCDK8THRATHRBSLC6A2
SCHEMBL3684360 0.85 CCNC (0.50) CCNCCDK8THRATHRBSLC6A2
SCHEMBL3882818 0.84 CCNC (0.46) CCNCCDK8SLC6A2SLC6A4SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 — — EP claimed
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 — — CN claimed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 — — CN claimed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 — — US claimed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 — — EP claimed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 — — US claimed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 — — EP disclosed
CN-100387576-C Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2008-05-14 — — CN disclosed
CN-1653032-A Substituted phenylalkanoic acid derivatives and use thereof ASAHI CHEMICAL IND (JP) 2005-08-10 — — CN disclosed
US-6867320-B2 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2005-03-15 — — US disclosed
EP-1477472-A1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2004-11-17 — — EP disclosed
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2004-03-04 — — 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-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 CCNC 2174/4885CDK8 3600/4885THRA 1720/4885

“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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