SCHEMBL7096878

SCHEMBL7096878

O=C(CC(=O)N1CCCCC1)c1cn[nH]c1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.38
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
ACKR3 P25106 1/20 0.37
GFER P55789 1/20 0.36
HPGD P15428 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL5159792 0.98 GAA (0.38) L3MBTL1RAB9AALDH1A1TSHRGAA
SCHEMBL17276467 0.79 HPGD (0.55) ALDH1A1TSHRMEN1KMT2AHPGD
SCHEMBL3310693 0.77 HPGD (0.52) L3MBTL1ALDH1A1TSHRMEN1KMT2A
SCHEMBL5160072 0.76 VNN1 (0.49) L3MBTL1RAB9AALDH1A1TSHRGAA
SCHEMBL5163185 0.74 VNN1 (0.47) L3MBTL1RAB9AALDH1A1GAAHPGD
SCHEMBL5160787 0.74 HPGD (0.41) RAB9AALDH1A1GAAKMT2AHPGD
SCHEMBL21259942 0.74 PROKR1 (0.47) L3MBTL1ALDH1A1MEN1KMT2AHPGD
SCHEMBL20797184 0.73 ALDH1A1 (0.38) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL5160900 0.73 PLOD2 (0.51) L3MBTL1RAB9AALDH1A1TSHRGAA
SCHEMBL6692694 0.72 HPGD (0.59) RAB9AALDH1A1GAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8293899-B2 Ketone transfer hydrogenation of stereoisomerically enriched 3-heteroaryl-3-oxocarboxylic esters by reducing 3-heteroaryl-3-hydroxycarboxylic esters in the presence of a ruthenium-containing catalyst, an amine and formic acid and/or formates LANXESS DEUTSCHLAND GMBH (DE) 2012-10-23 US disclosed
US-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives LANXESS DEUTSCHLAND GMBH (DE) 2003-12-04 US disclosed
EP-1340746-A1 Process for the reduction of 3-heteroaryl-3-oxo-propanoic acid derivatives BAYER AG (DE) 2003-09-03 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-20030225274-A1 Process for reducing 3-heteroaryl-3-oxopropionic acid derivatives GRHPR, HPD, HAAO L3MBTL1 4382/4885RAB9A 3428/4885ALDH1A1 273/4885

“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.