SCHEMBL3887972

SCHEMBL3887972

CCn1ncc2cc(-c3cc(CCC(=O)OC)cc([N+](=O)[O-])c3OC3Cc4ccccc4C3)ccc21

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35
CACNA1H O95180 6/20 0.33
RAD51 Q06609 2/20 0.32
CHEK1 O14757 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
PTPN1 P18031 3/20 0.31
NPC1 O15118 1/20 0.30
AKT1 P31749 1/20 0.30
AKT2 P31751 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30

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
SCHEMBL3883995 0.92 RAD51 (0.36) CACNA1HRAD51MEN1KMT2A
SCHEMBL3883989 0.92 RAD51 (0.36) CACNA1HRAD51MEN1KMT2A
SCHEMBL924546 0.91 AR (0.38) CCNCCDK8
SCHEMBL3883868 0.88 CCNC (0.36) CCNCCDK8CACNA1HRAD51PTPN1
SCHEMBL3887968 0.86 FFAR4 (0.34) RAD51
SCHEMBL3883641 0.85 CCNC (0.44) CCNCCDK8CHEK1MEN1KMT2A
SCHEMBL3881669 0.85 PTPN1 (0.34) CCNCCDK8CHEK1PTPN1AKT1
SCHEMBL3880534 0.84 CACNA1H (0.38) CCNCCDK8CACNA1HRAD51PTPN1
SCHEMBL2944414 0.83 AR (0.39) CCNCCDK8
SCHEMBL3883920 0.83 TRPA1 (0.39) CCNCCDK8CHEK1

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 3600/4885CACNA1H 1216/4885

“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.