SCHEMBL5454416

SCHEMBL5454416

COCCOC(=O)C1=C(C)NC(C)=C(C(=O)O)C1(CCOC)c1cccc(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 2/20 0.41
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 3/20 0.38
LMNA P02545 3/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 2/20 0.38
CYP3A4 P08684 2/20 0.38
CYP2C9 P11712 2/20 0.38
CYP2C19 P33261 2/20 0.38
CYP2D6 P10635 1/20 0.38
NFKB1 P19838 1/20 0.38
THPO P40225 1/20 0.38
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.35
CACNA1C Q13936 2/20 0.35
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35

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
SCHEMBL4755356 0.78 TSHR (0.37) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL3024959 0.73 CACNA1B (0.62) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL7688891 0.65 ALDH1A1 (0.61) MEN1KMT2AALDH1A1POLBGAA
SCHEMBL11388103 0.64 POLB (0.48) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL3030162 0.62 ALDH1A1 (0.59) MEN1KMT2AMAPTLMNATSHR
SCHEMBL10830852 0.62 ADORA3 (0.72) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL3032551 0.62 CACNA1F (0.66) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL3326231 0.61 TSHR (0.69) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL29676320 0.61 TSHR (0.69) CACNA1BMEN1KMT2AMAPTLMNA
SCHEMBL7275488 0.61 CACNA1B (0.76) CACNA1BMEN1KMT2AMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds ROSKAMP RESEARCH LLC 2007-08-16 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-20070191409-A1 Compounds for inhibiting beta-amyloid production and methods of identifying the compounds APP, PSEN1, PSEN2 CACNA1B 31/4885MEN1 2917/4885KMT2A 4711/4885

“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.