SCHEMBL3686310

SCHEMBL3686310

COC(=O)CCc1cc(N)c(OC2CCCC2)c(-c2ccc3c(cnn3C)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AR P10275 6/20 0.40
HRH3 Q9Y5N1 1/20 0.38
CYP11B2 P19099 1/20 0.37
PDE1C Q14123 1/20 0.37
CCNC P24863 4/20 0.37
CDK8 P49336 4/20 0.37
USP7 Q93009 1/20 0.37
FAAH O00519 1/20 0.36
JAK3 P52333 1/20 0.36
LIPG Q9Y5X9 2/20 0.36
POLQ O75417 1/20 0.36
USP30 Q70CQ3 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
SCHEMBL3883907 0.91 THRA (0.44) ARPDE1CCCNCCDK8USP7
SCHEMBL3689023 0.91 HRH3 (0.41) ARHRH3CYP11B2PDE1CCCNC
SCHEMBL3881782 0.90 THRA (0.46) ARPDE1CCCNCCDK8USP7
SCHEMBL3687613 0.90 THRA (0.45) ARHRH3CYP11B2PDE1CCCNC
SCHEMBL3882157 0.90 CACNA1H (0.42) ARHRH3CYP11B2CCNCCDK8
SCHEMBL924410 0.89 AR (0.42) ARPDE1CCCNCCDK8USP7
SCHEMBL3689034 0.87 CCNC (0.37) ARHRH3CYP11B2CCNCCDK8
SCHEMBL3888364 0.86 HRH3 (0.41) ARHRH3CYP11B2CCNCCDK8
SCHEMBL3883117 0.86 HRH3 (0.39) ARHRH3CCNCCDK8FAAH
SCHEMBL3883023 0.85 HRH3 (0.40) ARHRH3CYP11B2CCNCCDK8

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
US-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-25 US disclosed
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHARMA CORPORATION (JP) 2009-03-05 US disclosed
EP-1477472-B1 SUBSTITUTED PHENYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2009-01-14 EP disclosed
US-7470807-B2 Suppress production of both prostaglandins and leukotrienes and have reduced side effects; treatment of various inflammatory diseases, autoimmune diseases, allergic diseases, pain and fibrosis; for example, methyl 3-[3-acetylamino-4-cyclopentyloxy-5-(naphthalen-2-yl)phenyl]propionate ASAHI KASEI PHARMA CORPORATION (JP) 2008-12-30 US disclosed
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof ASAHI KASEI PHAMA CORPORATION (JP) 2007-09-13 US 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 (4 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-20100048893-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885HRH3 482/4885CYP11B2 225/4885
US-20040044258-A1 Substituted phenylalkanoic acid derivatives and use thereof PTGER1, CYSLTR1, PTGS1 AR 630/4885HRH3 533/4885CYP11B2 293/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885HRH3 482/4885CYP11B2 225/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 AR 179/4885HRH3 482/4885CYP11B2 225/4885

“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.