SCHEMBL833951

SCHEMBL833951

CC(C)CN1Cc2cccc(C(=O)O)c2C1=O

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 10/20 0.78
HTT P42858 2/20 0.62
ALOX15 P16050 1/20 0.62
PARP2 Q9UGN5 6/20 0.53
LMNA P02545 1/20 0.53
KDM4E B2RXH2 1/20 0.50
ESR1 P03372 1/20 0.50
POLB P06746 1/20 0.50
NR4A1 P22736 1/20 0.50
APEX1 P27695 1/20 0.50
PTPN7 P35236 1/20 0.50
RECQL P46063 1/20 0.50
BLM P54132 1/20 0.50
MCL1 Q07820 1/20 0.50
ESR2 Q92731 1/20 0.50
HSD17B10 Q99714 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 3/20 0.48
MAPK10 P53779 1/20 0.48
PREP P48147 1/20 0.48

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
SCHEMBL834344 0.88 PARP1 (1.00) PARP1HTTPARP2LMNA
SCHEMBL10169866 0.80 PARP1 (0.68) PARP1HTTALOX15PARP2LMNA
SCHEMBL17207994 0.79 PARP1 (0.80) PARP1HTTALOX15PARP2LMNA
SCHEMBL29802795 0.79 PARP1 (0.80) PARP1HTTALOX15PARP2LMNA
SCHEMBL1865315 0.78 HTT (0.86) PARP1HTTALOX15PARP2KDM4E
SCHEMBL12714349 0.78 PARP1 (0.67) PARP1HTTALOX15PARP2LMNA
SCHEMBL20214403 0.78 HTT (0.58) PARP1HTTALOX15PARP2LMNA
SCHEMBL1863347 0.77 HTT (0.71) PARP1HTTALOX15PARP2LMNA
SCHEMBL29802830 0.77 PARP1 (0.81) PARP1HTTALOX15PARP2LMNA
SCHEMBL1859153 0.76 ALOX15 (1.00) PARP1HTTALOX15PARP2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8143284-B2 2-cyclohexyl-3-oxo-2,3-dihydro-1H-isoindole-4-carboxamide; allergic encephalitis, arthritis, cardiac and kidney toxicities from doxorubicin-based and platinum-based antineoplastic agents, carcinoma of the breast, central nervous system inflammation, cervical carcinoma, ABBOTT LABORATORIES (US) 2012-03-27 US disclosed
US-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS ABBVIE INC. 2008-05-08 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-20080108659-A1 POLY(ADP-RIBOSE)POLYMERASE INHIBITORS PARP1, PARP11, PARP2 PARP1 1/4885HTT 729/4885ALOX15 1991/4885

“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.