SCHEMBL4335887

SCHEMBL4335887

CCc1ccc(COC(=O)Nc2ccc(OC)c(CC(OC(C)C)C(=O)O)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.44
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 4/20 0.41
GAA P10253 1/20 0.41
ATM Q13315 2/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
RAB9A P51151 1/20 0.39
MEN1 O00255 2/20 0.39
ROCK2 O75116 1/20 0.39
LMNA P02545 1/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.38
PPARA Q07869 1/20 0.38
MGLL Q99685 1/20 0.38
KCNA5 P22460 1/20 0.38
FPR2 P25090 1/20 0.37

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
SCHEMBL4343697 0.91 GAA (0.44) SMN1; SMN2KMT2AALDH1A1GAAMAPT
SCHEMBL13810706 0.90 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AALDH1A1GAAATM
SCHEMBL4343465 0.89 SMN1; SMN2 (0.45) SMN1; SMN2KMT2AALDH1A1ATMMAPT
SCHEMBL4333437 0.89 FAAH (0.41) SMN1; SMN2KMT2AGAAMAPTNPC1
SCHEMBL4337108 0.89 PPARA (0.45) SMN1; SMN2KMT2AALDH1A1GAAMAPT
SCHEMBL4333142 0.89 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AGAAMAPTNPC1
SCHEMBL4338949 0.89 PPARA (0.49) SMN1; SMN2KMT2AMAPTMEN1PTGDR2
SCHEMBL13810699 0.89 ALDH1A1 (0.43) SMN1; SMN2KMT2AALDH1A1GAAATM
SCHEMBL4337066 0.86 SMN1; SMN2 (0.56) SMN1; SMN2KMT2AALDH1A1MAPTNPC1
SCHEMBL4340787 0.86 NPC1 (0.47) SMN1; SMN2KMT2AALDH1A1ATMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-7544835-B2 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-06-09 US disclosed
US-20040102634-A1 Carboxylic acid derivative and salt thereof EISAI R&D MANAGEMENT CO., LTD. (JP) 2004-05-27 US disclosed
EP-1380562-A1 CARBOXYLIC ACID DERIVATIVE AND SALT THEREOF Eisai Co., Ltd. (JP) 2004-01-14 EP 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-20040102634-A1 Carboxylic acid derivative and salt thereof GPR119, IRS1, SLC5A1 SMN1; SMN2 3054/4885KMT2A 2774/4885ALDH1A1 844/4885

“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.