SCHEMBL1108362

SCHEMBL1108362

COC(=O)CCc1cc(C(=O)c2ccc(OC3CCCC3)cc2O)ccc1OCc1ccc2c(=O)n(C)oc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JUN P05412 1/20 0.65
UGT1A1 P22309 1/20 0.65
UGT1A3 P35503 1/20 0.65
UGT1A8 Q9HAW9 1/20 0.65
PDE4A P27815 2/20 0.33
PDE4B Q07343 2/20 0.33
PDE4C Q08493 2/20 0.33
PDE4D Q08499 2/20 0.33
LMNA P02545 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP11B2 P19099 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
MET P08581 1/20 0.31
PDE5A O76074 1/20 0.30
FFAR1 O14842 1/20 0.30

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
SCHEMBL2959647 0.91 JUN (0.62) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL1100631 0.88 JUN (0.61) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL1100281 0.86 JUN (0.64) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL6829363 0.84 JUN (0.60) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2963266 0.83 JUN (0.60) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2965022 0.83 JUN (0.61) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2963264 0.83 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2960899 0.82 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL12430059 0.82 JUN (0.59) JUNUGT1A1UGT1A3UGT1A8PDE4A
SCHEMBL2970244 0.81 JUN (0.57) JUNUGT1A1UGT1A3UGT1A8PDE4A

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-8153816-B2 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl)methoxy]phenyl]propionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2012-04-10 US disclosed
US-20110263866-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS TOYAMA CHEMICAL CO., LTD. (JP) 2011-10-27 US disclosed
US-8017789-B2 Process for production of 3-[5-[4-(cyclopentyloxy)-2-hydroxybenzoyl]-2-[(3-OXO-2-substituted-2,3-dihydro-1,2-benzisoxazol-6-yl]methoxy]phenyl]proprionate ester and intermediate for the process TOYAMA CHEMICAL CO., LTD. (JP) 2011-09-13 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 (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-20110263866-A1 PROCESS FOR PRODUCTION OF 3-[5-[4-(CYCLOPENTYLOXY)-2-HYDROXYBENZOYL]-2-[(3-OXO-2-SUBSTITUTED-2,3-DIHYDRO-1,2-BENZISOXAZOL-6-YL)METHOXY]PHENYL]PROPIONATE ESTER AND INTERMEDIATE FOR THE PROCESS CYP3A4, HPD, POR JUN 2439/4885UGT1A1 300/4885UGT1A3 321/4885

“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.