SCHEMBL4334231

SCHEMBL4334231

COc1ccc(CC(OC(C)C)C(=O)O)cc1CCOC(=O)Nc1ccccc1Cl

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.46
PDE4D Q08499 1/20 0.40
MAPT P10636 2/20 0.40
LMNA P02545 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ALDH1A1 P00352 1/20 0.40
PPARD Q03181 4/20 0.38
PPARA Q07869 4/20 0.38
PPARG P37231 3/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
NPC1 O15118 2/20 0.38
KMT2A Q03164 2/20 0.38
RAB9A P51151 1/20 0.38
MMP1 P03956 1/20 0.38
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
ATM Q13315 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 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
SCHEMBL4336851 0.89 LDHA (0.47) SMN1; SMN2PDE4DMAPTLMNAL3MBTL1
SCHEMBL4334226 0.88 NPSR1 (0.49) SMN1; SMN2LMNAALDH1A1PPARDPPARA
SCHEMBL4332223 0.85 CNR1 (0.45) SMN1; SMN2L3MBTL1ALDH1A1PPARDPPARA
SCHEMBL13810402 0.85 SMN1; SMN2 (0.46) SMN1; SMN2PDE4DMAPTLMNAL3MBTL1
SCHEMBL4328950 0.85 MAPT (0.48) SMN1; SMN2MAPTLMNAALDH1A1PPARD
SCHEMBL4337150 0.83 SMN1; SMN2 (0.41) SMN1; SMN2MAPTLMNAL3MBTL1ALDH1A1
SCHEMBL4334163 0.83 MEN1 (0.45) SMN1; SMN2MAPTALDH1A1PPARDPPARA
SCHEMBL4334936 0.83 PPARA (0.49) SMN1; SMN2LMNAPPARDPPARAPPARG
SCHEMBL4333076 0.83 LMNA (0.45) SMN1; SMN2MAPTLMNAALDH1A1PPARD
SCHEMBL4341195 0.83 PPARA (0.43) SMN1; SMN2ALDH1A1PPARDPPARAPPARG

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 3054/4885PDE4D 4239/4885MAPT 4654/4885

“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.