SCHEMBL4112540

SCHEMBL4112540

CCc1nn(CCO)c(CC)c1Oc1cc(C)c(C#N)c(C)c1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.38
KDM4E B2RXH2 5/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.35
KCNH2 Q12809 3/20 0.34
MAPT P10636 2/20 0.33
BRD4 O60885 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MAPK1 P28482 1/20 0.31
USP2 O75604 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
SCHEMBL4102616 0.87 PGR (0.39) PGRKDM4EMEN1KMT2AALDH1A1
SCHEMBL4104516 0.87 KCNH2 (0.36) KDM4EMEN1KMT2AALDH1A1LMNA
Lersivirine SCHEMBL508446 0.86 KCNH2 (0.49) PGRALDH1A1LMNAKCNH2
SCHEMBL4109666 0.85 PGR (0.41) PGR
SCHEMBL2717137 0.84 KCNH2 (0.53) PGRALDH1A1LMNAKCNH2
SCHEMBL4959656 0.84 PTGDR2 (0.42) PGRKDM4EALDH1A1LMNAKCNH2
SCHEMBL4099713 0.83 PGR (0.42) PGRKDM4EMEN1KMT2AALDH1A1
SCHEMBL508393 0.83 KCNH2 (0.44) PGRMEN1KMT2AALDH1A1LMNA
SCHEMBL5229047 0.83 KCNH2 (0.36) PGRKMT2ALMNAKCNH2MAPT
SCHEMBL5229454 0.82 PGR (0.39) PGRALDH1A1LMNAKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099209-A1 Compounds Useful in Therapy PFIZER INC 2009-04-16 US disclosed
US-7482375-B2 Compounds useful in therapy PFIZER INC. (US) 2009-01-27 US disclosed
EP-1874732-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS Pfizer Limited (GB) 2008-01-09 EP disclosed
WO-2006111856-A1 PYRAZOLE DERIVATIVES AS PROGESTERONE RECEPTOR ANTAGONISTS PFIZER LIMITED (GB) 2006-10-26 WO disclosed
US-20060241125-A1 Compounds useful in therapy BRADLEY PAUL A 2006-10-26 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 (2 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-20060241125-A1 Compounds useful in therapy CBR3, GPER1, CBR1 PGR 57/4885KDM4E 3328/4885MEN1 2554/4885
US-20090099209-A1 Compounds Useful in Therapy CBR3, CBR1, GPER1 PGR 87/4885KDM4E 3493/4885MEN1 2898/4885

“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.