SCHEMBL15914360

SCHEMBL15914360

NCCOc1ccc(C/C(C(=O)O)=C(/C(=O)O)C2CCC(O)CC2)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
S1PR1 P21453 1/20 0.36
S1PR5 Q9H228 1/20 0.36
TAAR1 Q96RJ0 1/20 0.36
PLA2G2A P14555 1/20 0.35
HRH3 Q9Y5N1 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
SCHEMBL15914361 1.00 LTA4H (0.40) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL14672244 1.00 LTA4H (0.40) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15914362 1.00 LTA4H (0.40) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15751312 0.99 LTA4H (0.39) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15751313 0.84 LTA4H (0.35) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15751314 0.84 LTA4H (0.35) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15751310 0.84 LTA4H (0.35) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15914403 0.83 CYP2D6 (0.36) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15914400 0.83 CYP2D6 (0.36) LTA4HMEN1ALDH1A1CYP2D6RAB9A
SCHEMBL15914401 0.83 CYP2D6 (0.36) LTA4HMEN1ALDH1A1CYP2D6RAB9A

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-9115079-B2 NDM inhibitor MEIJI SEIKA PHARMA CO., LTD. (JP) 2015-08-25 US disclosed
US-20140221330-A1 NDM INHIBITOR MEIJI SEIKA PHARMA CO., LTD. (JP) 2014-08-07 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-20140221330-A1 NDM INHIBITOR MGAM, NQO1, NQO2 LTA4H 639/4885MEN1 3376/4885ALDH1A1 342/4885

“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.