SCHEMBL4804207

SCHEMBL4804207

CCC(C)[C@@H](C=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
SLC1A3 P43003 2/20 0.41
SLC1A2 P43004 2/20 0.41
SLC1A1 P43005 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSB P07858 2/20 0.39
TRPA1 O75762 1/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
MAPT P10636 1/20 0.38
RCE1 Q9Y256 1/20 0.38
TAAR1 Q96RJ0 1/20 0.38
LMNA P02545 1/20 0.37
ACE P12821 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 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
SCHEMBL4804204 1.00 MEN1 (0.41) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4807594 1.00 MEN1 (0.41) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4807929 0.84 SLC1A3 (0.45) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL4807936 0.84 SLC1A3 (0.45) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL9610150 0.83 SLC1A3 (0.41) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL17170474 0.80 CYP2C9 (0.39) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL17170399 0.80 CYP2C9 (0.39) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL17170481 0.80 CYP2C9 (0.39) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL28563227 0.79 SLC1A3 (0.46) MEN1KMT2ASLC1A3SLC1A2SLC1A1
SCHEMBL28557184 0.79 SLC1A3 (0.46) MEN1KMT2ASLC1A3SLC1A2SLC1A1

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-7446125-B2 Derivatives of nitroproline compounds, processes of manufacture and uses in the treatment of integrin mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2008-11-04 US disclosed
US-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders UNIVERSIDAD DEL PAIS VASCO (ES) 2006-09-21 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-20060211630-A1 Novel synthetic compounds, processes of manufacture and uses in the treatment of integrin-mediated disorders ITGB5, ITGA5, ITGAV MEN1 1765/4885KMT2A 3779/4885SLC1A3 2824/4885

“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.