SCHEMBL3882008

SCHEMBL3882008

COC(=O)CCc1ccc(OCc2ccc(F)cc2)c(-c2ccc3[nH]ncc3c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
MAPK1 P28482 1/20 0.44
MAOB P27338 2/20 0.43
CTNNB1 P35222 1/20 0.43
WNT3A P56704 1/20 0.43
FFAR4 Q5NUL3 3/20 0.41
FFAR1 O14842 1/20 0.41
TP53 P04637 1/20 0.40
MDM2 Q00987 1/20 0.40
TRPA1 O75762 5/20 0.40
CDC7 O00311 1/20 0.40
ROCK2 O75116 1/20 0.40
GSK3B P49841 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
LRRK2 Q5S007 1/20 0.39
HPSE Q9Y251 1/20 0.39
BRD4 O60885 1/20 0.39
TGFBR1 P36897 1/20 0.39

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
SCHEMBL3886352 0.90 AKT1 (0.42) MAOBFFAR4FFAR1TRPA1ROCK2
SCHEMBL3884799 0.90 TP53 (0.49) KDM4EMAPTMAPK1CTNNB1WNT3A
SCHEMBL3883267 0.86 CNR2 (0.44) FFAR4FFAR1TP53MDM2NPC1
SCHEMBL3882548 0.85 TRPA1 (0.45) KDM4EMAPTMAPK1CTNNB1WNT3A
SCHEMBL3884519 0.84 TRPA1 (0.41) MAPK1MAOBTRPA1CDC7ROCK2
SCHEMBL27627110 0.84 TRPA1 (0.41) MAOBTRPA1ROCK2HPSE
SCHEMBL3882028 0.83 CCNC (0.49) FFAR4FFAR1TP53MDM2
SCHEMBL3882113 0.82 FFAR4 (0.51) MAOBCTNNB1WNT3AFFAR4FFAR1
SCHEMBL3883753 0.82 TP53 (0.46) CTNNB1WNT3AFFAR4FFAR1TP53
SCHEMBL3882890 0.82 MAPK14 (0.41) MAOBTRPA1ROCK2HPSE

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 KDM4E 2361/4885MAPT 4799/4885MAPK1 665/4885

“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.