SCHEMBL4253146

SCHEMBL4253146

COCCCC(c1ccc2c(C)n[nH]c2c1)C(CO)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 10/20 0.32
ADORA2A P29274 1/20 0.31
ADORA2B P29275 1/20 0.31
ITK Q08881 2/20 0.30
BTK Q06187 1/20 0.30
PRKAB2 O43741 1/20 0.30
PRKAG1 P54619 1/20 0.30
PRKAA2 P54646 1/20 0.30
PRKAA1 Q13131 1/20 0.30
PRKAG3 Q9UGI9 1/20 0.30
PRKAG2 Q9UGJ0 1/20 0.30
PRKAB1 Q9Y478 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
SCHEMBL4249862 0.83 MAPK1 (0.36) MAPK1
SCHEMBL4582672 0.81 ATM (0.33)
SCHEMBL4539815 0.79 REN (0.34)
SCHEMBL16076615 0.68 KIF11 (0.47) KDM4ESMN1; SMN2ADORA2AADORA2BITK
SCHEMBL23627129 0.66 SCN10A (0.41) MAPK1ADORA2AADORA2B
SCHEMBL13266368 0.65 ADORA2A (0.40) MAPK1ADORA2AADORA2BITK
SCHEMBL1144940 0.60 KDM4E (0.50) KDM4ESMN1; SMN2MAPK1ADORA2AADORA2B
SCHEMBL3155790 0.59 CHEK1 (0.50) SMN1; SMN2ADORA2AADORA2B
SCHEMBL176952 0.59 PDPK1 (0.59) KDM4EMAPK1ADORA2AADORA2BITK
SCHEMBL4604266 0.58 PRKAG1 (0.44) KDM4ESMN1; SMN2MAPK1PRKAB2PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088576-A1 Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds SPEEDEL EXPERIMENTA AG (CH) 2009-04-02 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-20090088576-A1 Process for the Stereoselective Preparation of Alcohols From Alpha, Beta-Insaturated Compounds ADH1C, ADH1A, EBP KDM4E 4681/4885SMN1; SMN2 3015/4885MAPK1 2341/4885

“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.