SCHEMBL4333329

SCHEMBL4333329

CC(C)OC(Cc1ccc(NC(=O)OCc2ccc3c(c2)CCO3)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 2/20 0.42
ALDH1A1 P00352 1/20 0.42
TP53 P04637 1/20 0.42
TSHR P16473 1/20 0.42
ATM Q13315 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACACB O00763 2/20 0.42
FAAH O00519 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.39
TAS1R1 Q7RTX1 1/20 0.39
P2RX3 P56373 3/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CCR5 P51681 2/20 0.38
CHRM5 P08912 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
SCHEMBL4340010 0.91 NPC1 (0.47) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL4335253 0.86 MMP1 (0.40) RAB9ANPC1POLBACACBTAS1R3
SCHEMBL4341131 0.85 RAB9A (0.57) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL13810586 0.82 RAB9A (0.66) RAB9ANPC1MAPTALDH1A1TP53
SCHEMBL6654698 0.81 PTGDR2 (0.51) MAPTALDH1A1SMN1; SMN2PPARGPPARA
SCHEMBL4341654 0.78 PPARG (0.48) RAB9ANPC1POLBMAPTTP53
SCHEMBL4329788 0.78 POLB (0.51) RAB9ANPC1POLBMAPTTP53
SCHEMBL4342690 0.78 PPARG (0.48) RAB9ANPC1POLBMAPTALDH1A1
SCHEMBL4335537 0.78 KMT2A (0.58) POLBSMN1; SMN2PPARGPPARAPPARD
SCHEMBL4327189 0.78 PPARG (0.48) RAB9ANPC1POLBMAPTALDH1A1

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 RAB9A 2956/4885NPC1 603/4885POLB 3622/4885

“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.