SCHEMBL4338102

SCHEMBL4338102

CCOC(=O)C(Cc1ccc(OCC)c(N)c1)OC(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
USP2 O75604 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CREBBP Q92793 1/20 0.47
TDP1 Q9NUW8 1/20 0.44
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
KDM4E B2RXH2 1/20 0.40
ALOX15 P16050 3/20 0.37
ALDH1A1 P00352 2/20 0.37
TSHR P16473 1/20 0.37
TP53 P04637 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35

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
SCHEMBL4329066 0.90 GAA (0.47) SMN1; SMN2ALOX15ALDH1A1PDE4APDE4B
SCHEMBL4336878 0.84 CYP2D6 (0.46) SMN1; SMN2CREBBPCYP2C19CYP2D6KDM4E
SCHEMBL4333218 0.82 ALDH1A1 (0.47) SMN1; SMN2ALOX15ALDH1A1GAA
SCHEMBL4337847 0.82 CYP2D6 (0.45) SMN1; SMN2CREBBPCYP2C19CYP2D6KDM4E
SCHEMBL6495800 0.81 LDHA (0.40) SMN1; SMN2CYP2D6ALOX15ALDH1A1MAPK1
SCHEMBL1857286 0.80 LMNA (0.46) NPC1RAB9ASMN1; SMN2HSD17B10CYP2C19
SCHEMBL4333251 0.79 ALOX15 (0.57) RAB9AKDM4EALOX15TSHRGAA
SCHEMBL4329833 0.78 ALOX15 (0.46) SMN1; SMN2CYP2C19CYP2D6ALOX15ALDH1A1
SCHEMBL4334347 0.78 SMN1; SMN2 (0.40) NPC1RAB9ASMN1; SMN2HSD17B10TDP1
SCHEMBL3953632 0.78 GAA (0.50) SMN1; SMN2ALOX15ALDH1A1MAPTPDE4A

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 NPC1 603/4885USP2 4526/4885RAB9A 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.