SCHEMBL923921

SCHEMBL923921

CCn1ncc2cc(-c3cc(CCC(=O)O)cc(N)c3OC3Cc4ccc(F)cc4C3)ccc21

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.34
HDAC1 Q13547 1/20 0.34
FFAR4 Q5NUL3 4/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.34
RAD51 Q06609 1/20 0.34
CACNA1H O95180 4/20 0.33
HDAC3 O15379 1/20 0.33
TP53 P04637 2/20 0.33
MDM2 Q00987 2/20 0.33
NR3C1 P04150 1/20 0.33
HTR2A P28223 1/20 0.32
HTR2C P28335 1/20 0.32
NR1H2 P55055 1/20 0.32
KMO O15229 1/20 0.32
S1PR1 P21453 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
SCHEMBL923312 0.93 CACNA1H (0.36) HDAC2HDAC1FFAR4PTGDR2RAD51
SCHEMBL925767 0.92 RAD51 (0.35) HDAC2HDAC1FFAR4RAD51CACNA1H
SCHEMBL923122 0.91 RAD51 (0.38) HDAC2HDAC1FFAR4RAD51CACNA1H
SCHEMBL924206 0.91 AR (0.38) FFAR4CACNA1H
SCHEMBL923426 0.91 RAD51 (0.35) HDAC2HDAC1FFAR4RAD51CACNA1H
SCHEMBL923676 0.90 NR1H2 (0.34) FFAR4RAD51CACNA1HNR1H2KMO
SCHEMBL924172 0.89 QPCT (0.36) FFAR4PTGDR2RAD51CACNA1HTP53
SCHEMBL924688 0.87 FFAR4 (0.35) FFAR4PTGDR2RAD51CACNA1H
SCHEMBL924053 0.86 PTGER1 (0.36) FFAR4RAD51TP53MDM2
SCHEMBL3887605 0.86 THRA (0.43) FFAR4RAD51CACNA1HKMOS1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9006225-B2 Stable pharmaceutical composition ASAHI KASEI PHARMA CORPORATION (JP) 2015-04-14 US disclosed
EP-2620431-A1 Novel crystals of substituted phenylalkanoic acid and production process Asahi Kasei Pharma Corporation (JP) 2013-07-31 EP disclosed
EP-2045244-B1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS ASAHI KASEI PHARMA CORP (JP) 2013-04-03 EP disclosed
US-7935720-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2011-05-03 US disclosed
US-20110021593-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2011-01-27 US disclosed
US-7838546-B2 Crystal of substituted phenylalkanoic acid ester and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-11-23 US disclosed
EP-2236135-A1 STABLE PHARMACEUTICAL COMPOSITION Asahi Kasei Pharma Corporation (JP) 2010-10-06 EP disclosed
US-20100234440-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID ESTER AND PROCESS FOR PRODUCING THE SAME SHODA MOTOSHI 2010-09-16 US disclosed
US-7754752-B2 Crystals of substituted phenylalkanoic acid and method of producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2010-07-13 US disclosed
US-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION ASAHI KASEI PHARMA CORPORATION (JP) 2010-02-18 US disclosed
US-20090312386-A1 NOVEL CRYSTALS OF SUBSTITUTED PHENYLALKANOIC ACID AND METHOD OF PRODUCING THE SAME ARIMOTO YUICHI 2009-12-17 US disclosed
US-7560478-B2 Crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2009-07-14 US disclosed
EP-2045244-A1 NOVEL CRYSTAL OF SUBSTITUTED PHENYLALKANOIC ACID AND PRODUCTION PROCESS Asahi Kasei Pharma Corporation (JP) 2009-04-08 EP disclosed
US-20080070967-A1 Novel crystal forms of substituted phenylalkanoic acids and process for producing the same ASAHI KASEI PHARMA CORPORATION (JP) 2008-03-20 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-20100041725-A1 STABLE PHARMACEUTICAL COMPOSITION SLC5A1, SLC5A2, SLC2A9 HDAC2 480/4885HDAC1 322/4885FFAR4 1679/4885

“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.