SCHEMBL3882022

SCHEMBL3882022

COC(=O)CCc1ccc(OCc2cccnc2)c(-c2ccc3ccccc3c2)c1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCNC P24863 5/20 0.58
▸ CDK8 P49336 5/20 0.58
▸ IKBKB O14920 1/20 0.46
▸ HTR1A P08908 1/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ HDAC1 Q13547 1/20 0.43
▸ TBXAS1 P24557 1/20 0.42
▸ LRRK2 Q5S007 2/20 0.42
▸ SMPD1 P17405 1/20 0.42
▸ CYP11B1 P15538 1/20 0.42
▸ CYP11B2 P19099 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ NAMPT P43490 1/20 0.41

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
SCHEMBL3883902 0.89 CCNC (0.54) CCNCCDK8IKBKBTBXAS1
SCHEMBL3887117 0.89 CCNC (0.52) CCNCCDK8PTPN1
SCHEMBL3882028 0.84 CCNC (0.49) CCNCCDK8PTPN1
SCHEMBL3881188 0.84 CCNC (0.47) CCNCCDK8
SCHEMBL3892073 0.82 CCNC (0.51) CCNCCDK8PTPN1
SCHEMBL3681757 0.81 CCNC (0.57) CCNCCDK8LMNAPTPN1
SCHEMBL3891577 0.81 TBXAS1 (0.50) IKBKBTBXAS1CYP11B1CYP11B2
SCHEMBL3891250 0.81 CCNC (0.50) CCNCCDK8PTPN1
SCHEMBL3883797 0.80 CCNC (0.46) CCNCCDK8HDAC1PTPN1
SCHEMBL3894136 0.80 CCNC (0.51) CCNCCDK8HDAC1LMNAPTPN1

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 8 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
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
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 3600/4885IKBKB 185/4885

“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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