SCHEMBL13423933

SCHEMBL13423933

CCCCOC(=O)[C@H](CC(C)C)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.46
TSHR P16473 4/20 0.46
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 2/20 0.46
MAPK1 P28482 2/20 0.46
MMP1 P03956 3/20 0.43
MMP3 P08254 3/20 0.43
EPOR P19235 1/20 0.42
MMP2 P08253 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CHRNB2 P17787 1/20 0.40
CHRNB4 P30926 1/20 0.40
CHRNA3 P32297 1/20 0.40
CHRNA4 P43681 1/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL878902 0.88 ALDH1A1 (0.49) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL13541175 0.86 ALDH1A1 (0.48) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL10066879 0.86 EPOR (0.49) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL12145603 0.85 EPOR (0.48) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL18089066 0.84 TSHR (0.46) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL5021049 0.83 CTSB (0.49) ALDH1A1MMP1MMP3EPORMMP2
SCHEMBL13577858 0.83 TSHR (0.50) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL13577855 0.83 TSHR (0.50) ALDH1A1TSHRL3MBTL1TDP1CYP3A4
SCHEMBL55668 0.82 EPOR (0.52) L3MBTL1MMP1MMP3EPORMMP2
SCHEMBL55669 0.82 EPOR (0.52) L3MBTL1MMP1MMP3EPORMMP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2348865-B1 BETA-HYDROXY-GAMMA-AMINOPHOSPHONATES AND METHODS FOR THE PREPARATION AND USE THEREOF NUCITEC SA DE CV (MX) 2015-07-15 EP disclosed
US-8536362-B2 β-hydroxy-γ-aminophosphonates and methods for the preparation and use thereof NUCITEC S.A. DE C.V. (MX) 2013-09-17 US disclosed
US-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof NUCITEC S.A. DE C.V. (MX) 2013-03-28 US disclosed
WO-2010041144-A2 BETA-HYDROXY-GAMMA-AMINOPHOSPHONATES AND METHODS FOR THE PREPARATION AND USE THEREOF NUCITEC S.A. DE C.V. (MX) 2010-04-15 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-20130079308-A1 Beta-Hydroxy-Gamma-Aminophosphonates and Methods for the Preparation and Use Thereof CPT1A, ACAT1, ABAT ALDH1A1 670/4885TSHR 4451/4885L3MBTL1 1614/4885

“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.