SCHEMBL3685994

SCHEMBL3685994

CCOC(=O)CCc1cc(Br)c(O[Si](C)(C)C(C)(C)C)c(OC)c1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.55
KMT2A Q03164 7/20 0.46
MEN1 O00255 2/20 0.46
ALDH1A1 P00352 3/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
TNF P01375 1/20 0.40
ALOX5 P09917 1/20 0.40
STING1 Q86WV6 2/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
KDM4E B2RXH2 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
SCHEMBL7254705 0.82 DRD2 (0.74) DRD2KMT2AALOX5CYP4F2CYP4A11
SCHEMBL1525471 0.80 ALOX15 (0.46) DRD2KMT2AALDH1A1ALOX15TSHR
SCHEMBL12766051 0.79 PTGS2 (0.51) DRD2KMT2AMEN1ALDH1A1ALOX15
SCHEMBL491077 0.79 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1CYP4F2CYP4A11
SCHEMBL3681959 0.78 ALOX5 (0.55) KMT2AMEN1ALDH1A1TNFALOX5
SCHEMBL3684450 0.77 THRA (0.58) KMT2AMEN1ALDH1A1
SCHEMBL3686409 0.77 DRD2 (0.47) DRD2KMT2AMEN1NPC1RAB9A
SCHEMBL7953719 0.76 ALDH1A1 (0.48) KMT2AMEN1ALDH1A1TNFSTING1
SCHEMBL3692244 0.76 MAOB (0.51) DRD2ALDH1A1ALOX5KDM4E
SCHEMBL3692246 0.76 MAOB (0.51) DRD2ALDH1A1ALOX5KDM4E

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 7 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
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
EP-1660427-A4 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORP (JP) 2006-12-20 EP disclosed
EP-1660427-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF Asahi Kasei Pharma Corporation (JP) 2006-05-31 EP disclosed
WO-2005016862-A1 SUBSTITUTED ARYLALKANOIC ACID DERIVATIVE AND USE THEREOF ASAHI KASEI PHARMA CORPORATION (JP) 2005-02-24 WO 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 (3 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 DRD2 317/4885KMT2A 1597/4885MEN1 4864/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 DRD2 317/4885KMT2A 1597/4885MEN1 4864/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 DRD2 317/4885KMT2A 1597/4885MEN1 4864/4885

“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.