SCHEMBL4335253

SCHEMBL4335253

COc1cc(CC(OC(C)C)C(=O)O)ccc1NC(=O)OCc1ccc2c(c1)CCO2

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.40
CXCR3 P49682 12/20 0.40
NPC1 O15118 1/20 0.39
POLB P06746 1/20 0.39
RAB9A P51151 1/20 0.39
ACACB O00763 2/20 0.39
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
LDHA P00338 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 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
SCHEMBL4332390 0.87 KMT2A (0.48) NPC1POLBRAB9A
SCHEMBL4333329 0.86 RAB9A (0.45) NPC1POLBRAB9AACACBTAS1R3
SCHEMBL4340010 0.84 NPC1 (0.47) NPC1POLBRAB9AACACBCHRM5
SCHEMBL4329951 0.83 PTGDR2 (0.39) MMP1NPC1RAB9ALDHA
SCHEMBL4328684 0.82 LDHA (0.41) MMP1NPC1RAB9ALDHA
SCHEMBL4482826 0.81 ALDH1A1 (0.41) MMP1RAB9ALDHA
SCHEMBL4341704 0.81 GAA (0.49) MMP1POLBLDHA
SCHEMBL4335259 0.79 HTR1B (0.40) TAS1R3TAS1R1LDHA
SCHEMBL4328226 0.79 MMP1 (0.44) MMP1POLBRAB9A
SCHEMBL4339373 0.79 PPARA (0.48) MMP1

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 MMP1 1890/4885CXCR3 419/4885NPC1 603/4885

“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.