SCHEMBL806790

SCHEMBL806790

CC(C)c1ccc(CC(=O)O)cc1O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
HPGD P15428 4/20 0.61
HSD17B10 Q99714 4/20 0.61
GAA P10253 3/20 0.61
TSHR P16473 3/20 0.61
MAPT P10636 3/20 0.61
NFKB1 P19838 2/20 0.61
TDP1 Q9NUW8 2/20 0.61
LMNA P02545 2/20 0.61
RGS12 O14924 1/20 0.61
POLB P06746 1/20 0.61
APEX1 P27695 1/20 0.61
THPO P40225 1/20 0.61
BLM P54132 1/20 0.61
GNAI1 P63096 1/20 0.61
PMP22 Q01453 1/20 0.61
HIF1A Q16665 1/20 0.61
ALDH1A1 P00352 4/20 0.51
CA2 P00918 2/20 0.51
TRPA1 O75762 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
SCHEMBL4945325 0.86 GAA (0.61) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL20315028 0.85 HPGD (0.50) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL28958177 0.81 LMNA (0.52) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL5523057 0.81 PANK3 (0.47) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL14042688 0.81 CA2 (0.59) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL9452826 0.79 TDP1 (0.58) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL3219477 0.79 YWHAG (0.48) GAAMAPTNFKB1LMNAALDH1A1
SCHEMBL21034794 0.79 SLC6A2 (0.57) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL31545856 0.79 SLC6A2 (0.57) KDM4EHPGDHSD17B10GAATSHR
SCHEMBL21566201 0.79 KDM4E (0.47) KDM4EHPGDHSD17B10GAATSHR

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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2014-08-28 US disclosed
WO-2012037069-A2 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-03-22 WO 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-20140243404-A1 UNIQUE HALOGEN-INDUCED CYCLIZATIONS, REAGENTS THEREFOR, AND COMPOUNDS PRODUCED THEREBY WEE1, WEE2, NOTUM KDM4E 4001/4885HPGD 1665/4885HSD17B10 158/4885

“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.