SCHEMBL4340671

SCHEMBL4340671

CC(C)OC(Cc1ccccc1COC(=O)Nc1ccc(Cl)cc1Cl)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.44
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
SMN1; SMN2 Q16637 5/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
USP2 O75604 1/20 0.41
HPGD P15428 1/20 0.41
PPARA Q07869 4/20 0.41
PPARG P37231 3/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C19 P33261 3/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL4340668 0.85 OPRK1 (0.48) OPRK1SMN1; SMN2HTTMAPTLMNA
SCHEMBL4327192 0.85 CYP1A2 (0.56) NPC1RAB9ASMN1; SMN2MAPTLMNA
SCHEMBL4335326 0.85 OPRK1 (0.48) OPRK1NPC1RAB9AL3MBTL1SMN1; SMN2
SCHEMBL4333354 0.84 ALDH1A1 (0.58) NPC1RAB9ASMN1; SMN2HTTMAPT
SCHEMBL4488496 0.84 PPARA (0.41) OPRK1SMN1; SMN2HTTMAPTLMNA
SCHEMBL4331703 0.83 ADRB2 (0.41) OPRK1L3MBTL1SMN1; SMN2HTTMAPT
SCHEMBL4334586 0.82 PKM (0.46) NPC1RAB9ASMN1; SMN2HTTALDH1A1
SCHEMBL4332405 0.81 SMN1; SMN2 (0.43) OPRK1SMN1; SMN2HTTMAPTLMNA
SCHEMBL4335802 0.81 SMN1; SMN2 (0.43) OPRK1SMN1; SMN2HTTMAPTLMNA
SCHEMBL4329791 0.81 LMNA (0.44) NPC1RAB9ASMN1; SMN2HTTMAPT

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 3 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-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 OPRK1 143/4885NPC1 603/4885RAB9A 2956/4885

“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.