SCHEMBL1705733

SCHEMBL1705733

CNC(C)C(=O)c1ccc(OCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 2/20 0.51
MAPK1 P28482 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.49
ALOX15 P16050 1/20 0.49
MEN1 O00255 1/20 0.47
PTPN7 P35236 1/20 0.47
KMT2A Q03164 1/20 0.47
PTPN12 Q05209 1/20 0.47
EPHX2 P34913 1/20 0.46
NR1H4 Q96RI1 1/20 0.46
NR4A1 P22736 1/20 0.45
APEX1 P27695 1/20 0.45
FFAR1 O14842 1/20 0.45
SRD5A2 P31213 1/20 0.44
KDM4E B2RXH2 1/20 0.44
CYP19A1 P11511 1/20 0.44

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
SCHEMBL14198621 0.83 ALDH1A1 (0.58) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL1706669 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL8382728 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL8382724 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL14198615 0.81 ALDH1A1 (0.55) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL10557960 0.79 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8383678 0.79 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
Hydrochloric Acid SCHEMBL8383676 0.79 ALDH1A1 (0.54) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL8379648 0.79 SMN1; SMN2 (0.48) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2
SCHEMBL8379652 0.79 SMN1; SMN2 (0.48) ALDH1A1TSHRMAPTMAPK1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9128108-B2 Mephedrone detection Randox Laboratories Limted (GB) 2015-09-08 US disclosed
US-9128108-B2 Mephedrone detection Randox Laboratories Limted (GB) 2015-09-08 US disclosed
EP-2442110-B1 Drug detection RANDOX LAB LTD (GB) 2014-03-19 EP disclosed
EP-2442110-B1 Drug detection RANDOX LAB LTD (GB) 2014-03-19 EP disclosed
US-20120094316-A1 Drug Detection NORTHERN BANK LIMITED (IE) 2012-04-19 US disclosed
US-20120094316-A1 Drug Detection NORTHERN BANK LIMITED (IE) 2012-04-19 US disclosed
EP-2442110-A1 Drug detection Randox Laboratories Ltd. (GB) 2012-04-18 EP disclosed
EP-2442110-A1 Drug detection Randox Laboratories Ltd. (GB) 2012-04-18 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-20120094316-A1 Drug Detection KIT, CYP3A43, CYP3A5 ALDH1A1 984/4885TSHR 2945/4885MAPT 1928/4885

“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.