SCHEMBL1551822

SCHEMBL1551822

Cc1cc(C)c(C)c(C)c1.Cc1cc(C)c(C)c(C)c1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAPGEF4 Q8WZA2 12/20 0.59
ACHE P22303 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
MMP13 P45452 1/20 0.42
ALDH1A1 P00352 4/20 0.41
TSHR P16473 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
CYP1A2 P05177 1/20 0.39
CYP2A6 P11509 1/20 0.39

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
SCHEMBL28951 1.00 RAPGEF4 (0.59) RAPGEF4ACHECA1CA2MMP1
SCHEMBL28482658 0.96 RAPGEF4 (0.56) RAPGEF4ACHECA1CA2MMP1
SCHEMBL10412763 0.96 RAPGEF4 (0.56) RAPGEF4ACHECA1CA2MMP1
SCHEMBL5180888 0.96 RAPGEF4 (0.56) RAPGEF4ACHECA1CA2MMP1
SCHEMBL6255294 0.93 RAPGEF4 (0.53) RAPGEF4ACHECA1CA2MMP1
SCHEMBL4701345 0.87 RAPGEF4 (0.48) RAPGEF4ACHECA1CA2MMP1
SCHEMBL10659964 0.87 RAPGEF4 (0.48) RAPGEF4ACHECA1CA2MMP1
SCHEMBL28656262 0.84 RAPGEF4 (0.46) RAPGEF4ACHECA1CA2MMP1
Butadiene SCHEMBL11268131 0.84 RAPGEF4 (0.46) RAPGEF4ACHECA1CA2MMP1
SCHEMBL30448595 0.82 RAPGEF4 (0.43) RAPGEF4ACHECA1CA2MMP1

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-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS PHARMASSET, INC. (US) 2012-08-09 US disclosed
EP-2313193-A2 IMPROVED PROCESS FOR CONVERTING AN OXYGENATED FEED TO HIGH OCTANE GASOLINE Conocophillps Company (US) 2011-04-27 EP disclosed
US-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections GILEAD PHARMASSET LLC 2007-04-05 US disclosed
EP-0000432-B1 A PROCESS FOR EFFECTING CATALYTIC ISOMERIZATION OF MONOCYCLIC METHYL-SUBSTITUTED AROMATIC HYDROCARBON COMPOUNDS MOBIL OIL CORPORATION (US) 1983-05-25 EP 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-20070078080-A1 N4-Acylcytosine Nucleosides for Treatment of Viral Infections ENTPD5, DUT, NT5C3B RAPGEF4 2883/4885ACHE 4224/4885CA1 4663/4885
US-20120202766-A1 N4-ACYLCYTOSINE NUCLEOSIDES FOR TREATMENT OF VIRAL INFECTIONS ENTPD5, DUT, NT5C3B RAPGEF4 2746/4885ACHE 4159/4885CA1 4653/4885

“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.