SCHEMBL6526306

SCHEMBL6526306

Cc1cc(C(C)(C)c2ccccc2)nn1C.[Mn]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
NR3C2 P08235 1/20 0.37
ALDH1A1 P00352 4/20 0.36
CYP3A4 P08684 2/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
NR1H2 P55055 1/20 0.36
NR1H3 Q13133 1/20 0.36
COMT P21964 1/20 0.35
TMEM97 Q5BJF2 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
KDM4E B2RXH2 2/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
GAA P10253 1/20 0.33

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
Methane SCHEMBL6526307 0.78 MAPK13 (0.42) MAPK14MAPK13MAPK12MAPK11NR3C2
Butadiene SCHEMBL2765647 0.74 MAPK13 (0.35) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL2767182 0.73 MAPK13 (0.36) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL2767176 0.73 MAPK13 (0.36) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL422069 0.73 KDM4E (0.52) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL26341024 0.71 KDM4E (0.37) ALDH1A1KDM4EGRNSORT1
SCHEMBL14037715 0.70 KDM4E (0.40) MAPK14MAPK13MAPK12MAPK11ALDH1A1
SCHEMBL26351545 0.70 KDM4E (0.36) ALDH1A1TMEM97SIGMAR1KDM4EGRN
SCHEMBL27558772 0.69 KMT2A (0.47) MAPK14MAPK13MAPK12MAPK11NR3C2
SCHEMBL21767220 0.67 BCHE (0.35) ALDH1A1KDM4EGRNSORT1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881802-B2 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-04-19 US disclosed
US-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2003-02-13 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-20030032743-A1 Catalyst for addition polymerization and process for producing an addition polymer BRAP, MCM4, BOLA2; BOLA2B MAPK14 416/4885MAPK13 1272/4885MAPK12 1279/4885

“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.