SCHEMBL4755372

SCHEMBL4755372

CCN1C(C)=C(C(=O)O)C(CC)(c2ccccc2[N+](=O)[O-])C(C(=O)O)=C1C

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
TDP1 Q9NUW8 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HSD17B10 Q99714 1/20 0.36
KDM4E B2RXH2 3/20 0.34
MAPT P10636 2/20 0.34
FBP1 P09467 1/20 0.34
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 3/20 0.34
MEN1 O00255 2/20 0.34
POLB P06746 1/20 0.34
GAA P10253 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
RAB9A P51151 1/20 0.33
CTSD P07339 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL3396115 0.91 GPR35 (0.41) TSHRTDP1L3MBTL1MAPTFBP1
SCHEMBL4757355 0.80 PYGM (0.39) ALDH1A1GAALMNA
SCHEMBL4755316 0.80 HCAR2 (0.36) TSHRKMT2AALDH1A1MEN1GAA
SCHEMBL3392997 0.78 TDP1 (0.40) TDP1L3MBTL1HSD17B10KDM4EMAPT
SCHEMBL4758299 0.77 LMNA (0.42) TSHRTDP1KMT2AALDH1A1MEN1
SCHEMBL11390110 0.77 TDP1 (0.37) TDP1L3MBTL1KDM4EKMT2AALDH1A1
SCHEMBL4608922 0.76 CYP2C19 (0.38) TSHRTDP1L3MBTL1HSD17B10KDM4E
SCHEMBL4880017 0.75 TSHR (0.38) TSHRTDP1L3MBTL1HSD17B10KDM4E
SCHEMBL8896632 0.72 TSHR (0.42) TSHRTDP1L3MBTL1HSD17B10KDM4E
SCHEMBL7382729 0.69 TSHR (0.37) TSHRTDP1L3MBTL1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114835633-B Preparation method of nifedipine 常州制药厂有限公司 2023-09-26 CN disclosed
WO-2008006070-A2 COMPOUNDS AND COMBINATIONS THEREOF FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF USE THEREOF ROSKAMP RESEARCH LLC (US) 2008-01-10 WO disclosed
EP-1858325-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS Roskamp Research LLC (US) 2007-11-28 EP disclosed
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
WO-2006074419-A2 COMPOUNDS FOR INHIBITING BETA-AMYLOID PRODUCTION AND METHODS OF IDENTIFYING THE COMPOUNDS ROSKAMP RESEARCH LLC (US) 2006-07-13 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 TSHR 4253/4885TDP1 2224/4885L3MBTL1 3900/4885

“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.