SCHEMBL17300682

SCHEMBL17300682

Cc1cc2c(=O)n(C(C)C)ncc2cc1O

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
PDE9A O76083 3/20 0.34
EZH2 Q15910 6/20 0.33
KMT2A Q03164 1/20 0.33
PDE1C Q14123 2/20 0.33
PDE1A P54750 1/20 0.33
PDE1B Q01064 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SYK P43405 1/20 0.32
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31
ACLY P53396 1/20 0.31

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
SCHEMBL17300630 0.94 KDM4E (0.36) KDM4EPDE9AEZH2KMT2APDE1C
SCHEMBL17300645 0.89 KDM4E (0.38) KDM4EPDE9AKMT2APDE1CPDE1A
SCHEMBL14966529 0.72 CHEK1 (0.39) KDM4EPDE1CPDE1APDE1BALDH1A1
SCHEMBL12411024 0.71 BPTF (0.36) KDM4EPDE9APDE1CPDE1APDE1B
SCHEMBL27300510 0.71 PDE1C (0.39) KDM4EPDE9APDE1CPDE1APDE1B
SCHEMBL17300641 0.71 KAT2B (0.37) KDM4EPDE1CCYP1A2CYP2C19ACLY
SCHEMBL18237502 0.70 ALDH1A1 (0.38) KDM4EPDE9AKMT2APDE1CPDE1A
SCHEMBL10072551 0.69 SMN1; SMN2 (0.51) KDM4EPDE9AKMT2AALDH1A1CYP1A2
SCHEMBL17300634 0.69 BPTF (0.37) KDM4EPDE9AKMT2APDE1CPDE1A
SCHEMBL15680578 0.67 ERCC1 (0.38) ALDH1A1

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-20150344502-A1 CEPHEM COMPOUND SHIONOGI & CO., LTD. (JP) 2015-12-03 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-20150344502-A1 CEPHEM COMPOUND PRMT6, CEP170, NR0B1 KDM4E 1616/4885PDE9A 4351/4885EZH2 526/4885

“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.