SCHEMBL12864879

SCHEMBL12864879

Cc1ccc(C[C@@H](C(=O)OC(C)C)C(C)C)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.41
ACACB O00763 1/20 0.40
PPARG P37231 2/20 0.39
PPARA Q07869 2/20 0.39
CYP4F2 P78329 1/20 0.38
CYP4A11 Q02928 1/20 0.38
HPGD P15428 1/20 0.38
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGS1 P23219 3/20 0.38
PTGS2 P35354 3/20 0.38
TSHR P16473 2/20 0.38
LMNA P02545 2/20 0.38
CYP2C9 P11712 2/20 0.38
AKR1C3 P42330 2/20 0.38
CXCR1 P25024 2/20 0.38
CXCR2 P25025 2/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38
ALOX5 P09917 1/20 0.38

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
SCHEMBL14765346 0.85 TSHR (0.54) KMT2AHPGDPTGS1TSHRCYP2C9
SCHEMBL15159077 0.85 TSHR (0.54) KMT2AHPGDPTGS1TSHRCYP2C9
SCHEMBL19254838 0.83 ACACB (0.42) KMT2AACACBPPARGPPARACYP4F2
SCHEMBL12864780 0.79 KMT2A (0.55) KMT2AACACBPPARGPPARAHPGD
SCHEMBL15222219 0.79 KMT2A (0.55) KMT2AACACBPPARGPPARAHPGD
SCHEMBL12118692 0.77 EPHX1 (0.51) KMT2AACACBPPARGPPARAHPGD
SCHEMBL12864877 0.77 KMT2A (0.43) KMT2AACACBPPARGPPARAHPGD
SCHEMBL15015866 0.73 TSHR (0.53) KMT2APTGS1TSHRLMNA
SCHEMBL5324827 0.73 ESR1 (0.47) KMT2APTGS2ESR1
SCHEMBL12714125 0.73 CYP4F2 (0.39) KMT2APPARGCYP4F2CYP4A11L3MBTL1

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-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF MEDAREX, INC. (US) 2011-02-03 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-20110027274-A1 ANTIPROLIFERATIVE COMPOUNDS, CONJUGATES THEREOF, METHODS THEREFOR, AND USES THEREOF WEE1, NGLY1, CD81 KMT2A 2238/4885ACACB 3471/4885PPARG 4389/4885

“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.