SCHEMBL13508939

SCHEMBL13508939

CNc1c(C)cc(CCC(=O)OC)cc1C

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ TSHR P16473 2/20 0.41
▸ MAPT P10636 2/20 0.39
▸ LMNA P02545 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ PDE3B Q13370 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ SIRT2 Q8IXJ6 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ CYP4F2 P78329 1/20 0.38
▸ CYP4A11 Q02928 1/20 0.38
▸ PTPN1 P18031 2/20 0.37
▸ NLRP3 Q96P20 1/20 0.37
▸ ADRB2 P07550 1/20 0.37
▸ ADRB1 P08588 1/20 0.37
▸ PDE4D Q08499 1/20 0.36

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
SCHEMBL5992538 0.84 PTGS1 (0.44) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL27846840 0.82 ALDH1A1 (0.43) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL9861207 0.79 KMT2A (0.49) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL1251242 0.79 ALDH1A1 (0.41) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL8969138 0.79 NPC1 (0.49) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL10867233 0.78 LMNA (0.42) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL35210191 0.77 GAA (0.47) ALDH1A1MAPTLMNAKMT2A
SCHEMBL14553379 0.77 F2RL1 (0.49) ALDH1A1MAPTLMNAHTTKMT2A
SCHEMBL7219961 0.76 TSHR (0.43) ALDH1A1TSHRMAPTLMNAHTT
SCHEMBL9861891 0.76 TSHR (0.45) ALDH1A1TSHRMAPTKMT2A

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 4 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

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 ALDH1A1 996/4885TSHR 536/4885MAPT 4869/4885
US-20070213333-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885MAPT 4869/4885
US-20090062530-A1 Substituted arylalkanoic acid derivatives and use thereof CYSLTR1, CYSLTR2, LTB4R2 ALDH1A1 996/4885TSHR 536/4885MAPT 4869/4885

“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.

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