SCHEMBL4159577

SCHEMBL4159577

Cc1ccc(CC(O)(C(=O)Nc2ccc(C#N)c(Cl)c2C)c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.42
PDK1 Q15118 2/20 0.39
PDK2 Q15119 2/20 0.39
PDK3 Q15120 2/20 0.39
PDK4 Q16654 2/20 0.39
ABCC9 O60706 1/20 0.38
ABCC8 Q09428 1/20 0.38
KCNJ11 Q14654 1/20 0.38
KCNJ8 Q15842 1/20 0.38
AR P10275 6/20 0.38
CXCR1 P25024 1/20 0.36
CXCR2 P25025 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36

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
SCHEMBL13909446 1.00 ALDH1A1 (0.42) ALDH1A1KDM4EGAAHPGDPDK1
SCHEMBL13909445 0.95 PDK1 (0.41) ALDH1A1KDM4EGAAHPGDPDK1
SCHEMBL4181415 0.95 PDK1 (0.41) ALDH1A1KDM4EGAAHPGDPDK1
SCHEMBL13909450 0.90 MAPT (0.41) ALDH1A1KDM4EPDK1PDK2PDK3
SCHEMBL4176199 0.90 MAPT (0.41) ALDH1A1KDM4EPDK1PDK2PDK3
SCHEMBL4168242 0.89 KDM4E (0.42) ALDH1A1KDM4EGAAHPGDPDK1
SCHEMBL13909448 0.89 KDM4E (0.42) ALDH1A1KDM4EGAAHPGDPDK1
SCHEMBL4170954 0.84 ABCB1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL13909454 0.84 ABCB1 (0.39) ALDH1A1KDM4EHPGDSMN1; SMN2KMT2A
SCHEMBL13909245 0.81 AR (0.52) ALDH1A1GAAARLMNA

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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS BAYER SCHERING PHARMA AG (DE) 2009-03-19 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-20090075989-A1 NON-STEROIDAL PROGESTERONE RECEPTOR MODULATORS NR5A1, CYP19A1, GPER1 ALDH1A1 695/4885KDM4E 1525/4885GAA 4824/4885

“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.