SCHEMBL20249182

SCHEMBL20249182

CC(C)(C)c1ccc(C2CCC(O)CC2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 3/20 0.46
KDM4E B2RXH2 2/20 0.37
GLA P06280 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HIF1A Q16665 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
KCNH2 Q12809 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
DGAT1 O75907 1/20 0.34
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
CHRNA7 P36544 2/20 0.33
TP53 P04637 1/20 0.33
DDB1 Q16531 1/20 0.33
CRBN Q96SW2 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
SCHEMBL15604151 0.91 KDM4E (0.39) ESR2KDM4EGLAHTTKMT2A
SCHEMBL13141209 0.85 ESR2 (0.46) ESR2KDM4EGLAHTTKMT2A
SCHEMBL22388847 0.84 SMN1; SMN2 (0.47) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL19625291 0.83 SMN1; SMN2 (0.50) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL17998801 0.82 QDPR (0.45) KCNH2HRH3TP53
SCHEMBL11916023 0.80 HTR2C (0.45) DDB1CRBNSLC18A3
SCHEMBL20249133 0.80 FAAH (0.36) KDM4EGLAHTTKMT2ASMN1; SMN2
SCHEMBL20249131 0.79 QDPR (0.52) DGAT1DDB1CRBNCNR2
SCHEMBL20980189 0.78 TLR9 (0.39) KCNH2HRH3TP53
SCHEMBL20249459 0.78 KDM4E (0.40) KDM4EGLAHTTKMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF TEIJIN PHARMA LIMITED (JP) 2018-06-14 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-20180161329-A1 PYRIDO[3,4-D]PYRIMIDINE DERIVATIVE AND PHARMACEUTICALLY ACCEPTABLE SALT THEREOF CDK4, CDK6, CDK16 ESR2 4184/4885KDM4E 470/4885GLA 3430/4885

“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.