SCHEMBL4789805

SCHEMBL4789805

CC1=C(C(=O)O)C(c2ccc(Br)cc2)C(C(=O)O)=C(C)N1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
CACNA1B Q00975 3/20 0.47
ALDH1A1 P00352 5/20 0.46
KDM4E B2RXH2 4/20 0.46
TSHR P16473 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
ABCC1 P33527 1/20 0.45
HSD17B10 Q99714 4/20 0.44
HPGD P15428 3/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
GAA P10253 1/20 0.44
ADORA3 P0DMS8 1/20 0.43
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
GUSB P08236 1/20 0.42
ABCC9 O60706 1/20 0.41
ABCC8 Q09428 1/20 0.41

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
SCHEMBL27541931 0.85 CACNA1B (0.49) LMNACACNA1BALDH1A1KDM4ETSHR
SCHEMBL30932230 0.84 ALDH1A1 (0.64) LMNACACNA1BALDH1A1KDM4ETSHR
SCHEMBL7410687 0.83 CACNA1B (0.61) CACNA1BALDH1A1GAAADORA3MEN1
SCHEMBL8949674 0.82 CACNA1F (0.53) LMNACACNA1BALDH1A1KDM4ETSHR
SCHEMBL9312804 0.82 ABCC1 (0.65) LMNACACNA1BALDH1A1KDM4ETSHR
SCHEMBL3320696 0.81 TSHR (0.68) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL27517413 0.80 CACNA1B (0.65) CACNA1BTSHRPOLBNPSR1HDAC4
SCHEMBL27517088 0.79 KDM4E (0.68) LMNACACNA1BALDH1A1KDM4ETSHR
SCHEMBL3017205 0.79 KDM4E (0.76) LMNAALDH1A1KDM4ETSHRSMN1; SMN2
SCHEMBL9433915 0.79 KDM4E (0.46) LMNACACNA1BALDH1A1KDM4EHSD17B10

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
CN-114516774-A Preparation method of chiral bromo-1, 4-dihydropyridine compound 中国科学院成都生物研究所 2022-05-20 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
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 US disclosed
CN-1261348-A Dihydropyridine derivatives AJINOMTO CO INC (JP) 2000-07-26 CN 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 LMNA 935/4885CACNA1B 31/4885ALDH1A1 3939/4885

“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.