SCHEMBL732931

SCHEMBL732931

CCC(OC(C)=O)(C(=O)O)c1ccc(Cl)c(N)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
KDM4E B2RXH2 4/20 0.35
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HPGD P15428 4/20 0.33
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CYP2C19 P33261 1/20 0.33
CHEK1 O14757 1/20 0.33
FYN P06241 1/20 0.33
PDGFRB P09619 1/20 0.33

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
SCHEMBL730951 0.80 VCAM1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL730952 0.80 VCAM1 (0.43) ALDH1A1MEN1KMT2AHPGDLMNA
SCHEMBL28048341 0.70 L3MBTL1 (0.45) KDM4EALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL22778788 0.68 TSHR (0.43) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL11622905 0.67 HTR2A (0.42) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1931036 0.66 PPARA (0.43) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1904645 0.66 NPC1 (0.40) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL730091 0.65 CNR1 (0.48) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1932453 0.65 PPARA (0.48) NPC1RAB9AKDM4EALDH1A1MEN1
SCHEMBL1930780 0.65 PPARA (0.48) NPC1RAB9AKDM4EALDH1A1MEN1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8138335-B2 Carboxylic acid compounds and medicinal compositions containing the same as the active ingredient ONO PHARMACEUTICAL CO., LTD (JP) 2012-03-20 US disclosed
US-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2010-02-04 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-20100029631-A1 CARBOXYLIC ACID COMPOUNDS AND MEDICINAL COMPOSITIONS CONTAINING THE SAME AS THE ACTIVE INGREDIENT GPR17, CYSLTR1, KIT NPC1 1788/4885RAB9A 760/4885KDM4E 3720/4885

“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.