SCHEMBL730951

SCHEMBL730951

CCC(OC(C)=O)(C(=O)O)c1ccc(Cl)c([N+](=O)[O-])c1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
VCAM1 P19320 9/20 0.43
ALDH1A1 P00352 5/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
THRB P10828 1/20 0.42
MAPT P10636 3/20 0.41
HPGD P15428 2/20 0.41
LMNA P02545 2/20 0.41
RAF1 P04049 1/20 0.41
MAPK1 P28482 1/20 0.41
GFER P55789 1/20 0.41
PAX8 Q06710 1/20 0.41
HSP90AA1 P07900 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
HTT P42858 1/20 0.39

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
SCHEMBL730952 1.00 VCAM1 (0.43) VCAM1ALDH1A1SMN1; SMN2THRBMAPT
SCHEMBL732931 0.80 NPC1 (0.36) ALDH1A1SMN1; SMN2HPGDLMNAMAPK1
SCHEMBL730106 0.78 VCAM1 (0.48) VCAM1ALDH1A1SMN1; SMN2THRBMAPT
SCHEMBL730105 0.78 VCAM1 (0.48) VCAM1ALDH1A1SMN1; SMN2THRBMAPT
SCHEMBL6821981 0.74 VCAM1 (0.53) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL7101466 0.73 VCAM1 (0.48) VCAM1ALDH1A1SMN1; SMN2THRBMAPT
SCHEMBL4442360 0.72 VCAM1 (0.50) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4442362 0.72 VCAM1 (0.50) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL4442693 0.72 VCAM1 (0.50) VCAM1ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL11625311 0.72 ALDH1A1 (0.48) VCAM1ALDH1A1SMN1; SMN2MAPTLMNA

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 VCAM1 94/4885ALDH1A1 368/4885SMN1; SMN2 3630/4885

“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.