SCHEMBL799368

SCHEMBL799368

CCN1Cc2cccc(C(C)C)c2C1=O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.50
PARP1 P09874 6/20 0.47
PARP2 Q9UGN5 3/20 0.45
HTT P42858 2/20 0.45
LMNA P02545 1/20 0.45
ALOX15 P16050 1/20 0.44
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK10 P53779 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.37

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
SCHEMBL805483 0.79 PARP1 (0.51) PARP1PARP2HTTLMNAALOX15
SCHEMBL14726019 0.79 PARP1 (0.54) PARP1PARP2HTTLMNAALDH1A1
SCHEMBL17212040 0.78 PARP1 (0.47) HSP90AB1PARP1PARP2HTTLMNA
SCHEMBL12714306 0.78 PARP1 (0.50) PARP1PARP2HTTLMNAALOX15
SCHEMBL11956536 0.78 PARP1 (0.47) HSP90AB1PARP1PARP2HTTLMNA
SCHEMBL805487 0.78 PARP1 (0.47) PARP1PARP2HTTLMNAALOX15
SCHEMBL799362 0.77 HSP90AB1 (0.41) HSP90AB1PARP1PARP2HTTLMNA
SCHEMBL17050405 0.75 IDH1 (0.47) HSP90AB1HTTKMT2AMEN1
SCHEMBL29957680 0.75 PARP1 (0.48) PARP1PARP2HTTLMNAALOX15
SCHEMBL13178701 0.74 HTT (0.44) PARP1PARP2HTTLMNAALOX15

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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-03-22 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-20120071475-A1 UREA DERIVATIVES HAVING PI3K-INHIBITING ACTIVITY MTOR, STAT3, SLC14A1 HSP90AB1 2956/4885PARP1 4529/4885PARP2 4461/4885

“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.