Sugi Predict

Sugi Predict / Compounds / SCHEMBL489099

SCHEMBL489099

SCHEMBL489099

CCCCCCCCC=CCCCC(Cc1ccccc1C=O)OC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ F7 P08709 3/20 0.37
▸ F3 P13726 3/20 0.37
▸ MMP2 P08253 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ ALOX15 P16050 1/20 0.37
▸ ECE1 P42892 1/20 0.37
▸ SGMS1 Q86VZ5 1/20 0.37
▸ SGMS2 Q8NHU3 1/20 0.37
▸ MUS81 Q96NY9 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ SAE1 Q9UBE0 1/20 0.37
▸ FAAH O00519 3/20 0.36
▸ TRPV1 Q8NER1 1/20 0.36
▸ SOAT2 O75908 1/20 0.36
▸ SOAT1 P35610 1/20 0.36
▸ CYSLTR2 Q9NS75 2/20 0.35
▸ CYSLTR1 Q9Y271 2/20 0.35
▸ LPAR1 Q92633 2/20 0.35
▸ LPAR3 Q9UBY5 2/20 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
SCHEMBL490159 0.91 LIPG (0.36) CYSLTR2CYSLTR1
SCHEMBL6697469 0.89 F7 (0.36) F7F3MMP2KDM4EMAPT
SCHEMBL489433 0.80 LIPG (0.35) CYSLTR2CYSLTR1
SCHEMBL489763 0.80 ALDH1A1 (0.36) CYSLTR2CYSLTR1
SCHEMBL9857561 0.77 FAAH (0.46) F7F3MMP2KDM4EMAPT
SCHEMBL10509703 0.77 FAAH (0.46) F7F3MMP2KDM4EMAPT
SCHEMBL10509107 0.77 F7 (0.53) F7F3MMP2KDM4EMAPT
SCHEMBL28588434 0.71 ALDH1A1 (0.59) MAPTFAAHTRPV1LPAR1LPAR3
SCHEMBL8369069 0.70 CYSLTR2 (0.41) CYSLTR2CYSLTR1
SCHEMBL8500643 0.70 CYSLTR2 (0.50) FAAHTRPV1SOAT2SOAT1CYSLTR2

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-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
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers PULLELA PHANI KUMAR (US) 2004-03-25 — — 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 (2 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 F7 4517/4885F3 2999/4885MMP2 4847/4885
US-20040058942-A1 Substituted dihydropyrimidines, dihydropyrimidones and dihydropyrimidinethiones as calcuim channel blockers ORAI1, CACNA1B, CACNA1I F7 4306/4885F3 3188/4885MMP2 4570/4885

“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.