SCHEMBL489806

SCHEMBL489806

C=C(C=CCC(CCCCCCCCC)c1ccccc1C1NC(=O)NC(C)=C1C(=O)OC(C)C)OCC

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.49
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
TP53 P04637 2/20 0.44
MAPT P10636 1/20 0.44
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
ADORA2B P29275 2/20 0.41
PABPC1 P11940 1/20 0.41
EIF4H Q15056 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
GAA P10253 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
SCHEMBL4866791 0.94 LMNA (0.54) LMNAPOLBTSHRTP53MAPT
SCHEMBL490056 0.92 LMNA (0.50) LMNAPOLBTSHRTP53MAPT
SCHEMBL489694 0.87 LMNA (0.47) LMNAPOLBTSHRTP53MAPT
SCHEMBL489545 0.79 LMNA (0.47) LMNAPOLBTSHRTP53MAPT
SCHEMBL489619 0.72 LMNA (0.56) LMNAPOLBTSHRTP53MAPT
SCHEMBL4865418 0.72 LMNA (0.46) LMNAPOLBTSHRTP53MAPT
SCHEMBL489102 0.71 CYSLTR2 (0.34) LMNAPOLBTSHRMAPTALDH1A1
SCHEMBL489634 0.70 LMNA (0.52) LMNAPOLBTSHRTP53MAPT
SCHEMBL3527407 0.66 LMNA (0.52) LMNAPOLBTSHRTP53MAPT
SCHEMBL489625 0.65 LMNA (0.65) LMNAPOLBTSHRTP53ALDH1A1

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
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 US claimed
US-8106062-B1 Calcium channel blockers DIAKRON PHARMACEUTICALS, INC. (US) 2012-01-31 US disclosed
US-7687511-B2 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcium channel blockers PULLELA PHANI KUMAR 2010-03-30 US disclosed
US-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS PULLELA PHANI KUMAR 2008-05-29 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-20080125449-A1 SUBSTITUTED DIHYDROPYRIMIDINES, DIHYDROPYRIMIDONES AND DIHYDROPYRIMIDINETHIONES AS CALCIUM CHANNEL BLOCKERS ORAI1, RYR2, RYR1 LMNA 3818/4885POLB 3554/4885TSHR 4844/4885

“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.