SCHEMBL4114605

SCHEMBL4114605

O=CNC(OCc1ccccc1)(C(=O)O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
HCAR2 Q8TDS4 1/20 0.37
KMT2A Q03164 2/20 0.37
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A3 Q01959 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PTPN1 P18031 1/20 0.36
ADH1B P00325 1/20 0.36
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
ADH7 P40394 1/20 0.36
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 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
SCHEMBL10516641 0.85 GPR52 (0.34) ALDH1A1NPC1RAB9AHCAR2KMT2A
SCHEMBL6435352 0.83 KCNN4 (0.39) ALDH1A1KMT2AL3MBTL1TDP1MEN1
SCHEMBL6437211 0.79 ALDH1A1 (0.37) ALDH1A1KMT2AMEN1CYP1A2CYP2D6
SCHEMBL28532191 0.78 NPC1 (0.50) ALDH1A1NPC1RAB9AKMT2ASLC6A2
SCHEMBL6437393 0.78 KCNN4 (0.46) ALDH1A1KMT2ACYP1A2CYP2D6CYP2C19
SCHEMBL7821065 0.77 CYP2C19 (0.42) ALDH1A1NPC1RAB9AHCAR2KMT2A
SCHEMBL8784381 0.75 KCNN4 (0.40) ALDH1A1NPC1RAB9AKMT2AMAPK1
SCHEMBL27369729 0.75 ADH1B (0.38) ALDH1A1KMT2APTPN1ADH1BADH1C
SCHEMBL6439696 0.74 CYP1A2 (0.40) ALDH1A1KMT2ATDP1MEN1CYP1A2
SCHEMBL10922628 0.72 ALDH1A1 (0.46) ALDH1A1NPC1RAB9AHCAR2KMT2A

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-20090036525-A1 Non-Natural Amino Acid Derivatives POXIMAGEN LTD. (GB) 2009-02-05 US disclosed
EP-1981839-A1 NON-NATURAL AMINO ACID DERIVATIVES Proximagen Ltd. (GB) 2008-10-22 EP disclosed
WO-2007091018-A1 NON-NATURAL AMINO ACID DERIVATIVES PROXIMAGEN LTD. (GB) 2007-08-16 WO 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-20090036525-A1 Non-Natural Amino Acid Derivatives CHRNA6, PARK7, CHRNA7 ALDH1A1 3774/4885NPC1 3699/4885RAB9A 1181/4885

“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.