SCHEMBL489102

SCHEMBL489102

C=C(C=CCC(CCCCCCCCC)c1ccccc1C=O)OCC

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYSLTR2 Q9NS75 4/20 0.34
CYSLTR1 Q9Y271 4/20 0.34
PRSS1 P07477 1/20 0.33
PRSS2 P07478 1/20 0.33
PRSS3 P35030 1/20 0.33
PPARG P37231 2/20 0.32
CASP1 P29466 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.30
TSHR P16473 1/20 0.30
PDE5A O76074 1/20 0.30
MEN1 O00255 1/20 0.30
PLIN1 O60240 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
PLIN5 Q00G26 1/20 0.30
KMT2A Q03164 1/20 0.30
ABHD5 Q8WTS1 1/20 0.30

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
SCHEMBL489352 0.90 PPARG (0.36) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL1332960 0.76 CYSLTR2 (0.45) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL489432 0.75 ALDH1A1 (0.39) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL4866791 0.74 LMNA (0.54) TDP1ALDH1A1LMNATSHRMEN1
SCHEMBL6882280 0.73 CYSLTR2 (0.43) CYSLTR2CYSLTR1PPARGTDP1ALDH1A1
SCHEMBL9857565 0.73 CYSLTR2 (0.40) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL490156 0.71 ALDH1A1 (0.40) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL1856281 0.70 CYSLTR2 (0.38) CYSLTR2CYSLTR1PRSS1PRSS2PRSS3
SCHEMBL1880780 0.70 CYSLTR2 (0.40) CYSLTR2CYSLTR1TDP1ALDH1A1LMNA
SCHEMBL8082979 0.70 PPARG (0.45) CYSLTR2CYSLTR1PPARGTDP1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 CYSLTR2 608/4885CYSLTR1 672/4885PRSS1 2721/4885

“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.