SCHEMBL3881669

SCHEMBL3881669

COC(=O)CCc1cc(-c2ccc3c(ccn3C)c2)c(OC2Cc3ccccc3C2)c([N+](=O)[O-])c1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 3/20 0.34
LMNA P02545 2/20 0.33
THRB P10828 1/20 0.33
CHEK1 O14757 1/20 0.33
CHRNA7 P36544 4/20 0.33
CCNC P24863 1/20 0.33
CDK8 P49336 1/20 0.33
BRD4 O60885 2/20 0.33
CREBBP Q92793 2/20 0.33
CD274 Q9NZQ7 1/20 0.33
AR P10275 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
SERPINE1 P05121 1/20 0.32
AKT1 P31749 1/20 0.32
AKT2 P31751 1/20 0.32

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
SCHEMBL3888709 0.92 FFAR4 (0.37) CHRNA7CCNCCDK8BRD4CREBBP
SCHEMBL3888703 0.92 FFAR4 (0.37) CHRNA7CCNCCDK8BRD4CREBBP
SCHEMBL3882421 0.90 CHRNA7 (0.37) PTPN1LMNATHRBCHEK1CHRNA7
SCHEMBL3883543 0.89 CHRNA7 (0.36) PTPN1LMNATHRBCHEK1CHRNA7
SCHEMBL3883641 0.88 CCNC (0.44) PTPN1LMNACHEK1CCNCCDK8
SCHEMBL924546 0.88 AR (0.38) CCNCCDK8BRD4CREBBPAR
SCHEMBL3891649 0.87 PTPN1 (0.36) PTPN1LMNATHRBCHRNA7CCNC
SCHEMBL3884939 0.85 CHRNA7 (0.32) CHRNA7CCNCCDK8BRD4CREBBP
SCHEMBL3887972 0.85 CCNC (0.35) PTPN1CHEK1CCNCCDK8AKT1
SCHEMBL3881970 0.84 ENPP2 (0.36) PTPN1CHEK1CCNCCDK8

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 PTPN1 1292/4885LMNA 820/4885THRB 3187/4885

“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.