SCHEMBL9922004

SCHEMBL9922004

Cc1ccccc1OC(C)C#N

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
NISCH Q9Y2I1 1/20 0.41
TSHR P16473 6/20 0.39
AR P10275 4/20 0.39
CYP1A2 P05177 3/20 0.39
CYP3A4 P08684 3/20 0.39
CYP2D6 P10635 3/20 0.39
SLC6A2 P23975 3/20 0.39
CHRM1 P11229 2/20 0.39
ADRA2B P18089 2/20 0.39
HTR2A P28223 2/20 0.39
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
HRH1 P35367 2/20 0.39
OPRM1 P35372 2/20 0.39
DRD3 P35462 2/20 0.39
OPRK1 P41145 2/20 0.39
HTR2B P41595 2/20 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
SCHEMBL7837258 0.80 CA1 (0.52) KDM4EALDH1A1TSHRCYP1A2CYP3A4
SCHEMBL7957002 0.80 HPGD (0.42) KDM4ENISCHTSHRCYP1A2CYP3A4
SCHEMBL9918361 0.78 NISCH (0.43) ALDH1A1NISCHTSHRARCYP1A2
SCHEMBL31391961 0.78 ALDH1A1 (0.46) ALDH1A1MAPTTSHRSLC6A2SLC6A4
SCHEMBL21056080 0.77 GAA (0.40) ALDH1A1MAPTTSHRCYP3A4HTR2A
SCHEMBL31490450 0.76 IRAK4 (0.48) KDM4EALDH1A1NISCHTSHRCYP1A2
SCHEMBL1592873 0.76 NISCH (0.47) KDM4ENISCHTSHRCYP1A2CYP3A4
SCHEMBL104727 0.76 IRAK4 (0.48) KDM4EALDH1A1NISCHTSHRCYP1A2
SCHEMBL10588548 0.76 HTR1B (0.44) KDM4EALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL28795114 0.76 SLC6A2 (0.46) KDM4EALDH1A1MAPTNISCHTSHR

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
JP-54122726-A None JP disclosed
US-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors BIOCRYST PHARMACEUTICALS, INC. (US) 2012-06-14 US disclosed
JP-S54122726-A PLANT GROWTH REGULATOR SUMITOMO CHEM CO LTD 1979-09-22 JP 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-20120149662-A1 Heterocyclic Compounds as Janus Kinase Inhibitors JAK2, JAK1, JAK3 KDM4E 477/4885ALDH1A1 1507/4885MAPT 4399/4885

“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.