SCHEMBL12458063

SCHEMBL12458063

CC1=CCCOc2cc(Br)ccc21

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
BLM P54132 1/20 0.44
AHR P35869 3/20 0.35
PIK3CA P42336 4/20 0.35
PIK3CB P42338 4/20 0.35
PIK3CG P48736 4/20 0.35
PIK3CD O00329 2/20 0.35
PBRM1 Q86U86 1/20 0.34
ADRA2A P08913 2/20 0.34
PPARA Q07869 1/20 0.34
MAOB P27338 2/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
MAP3K5 Q99683 1/20 0.32

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
SCHEMBL12246317 0.86 LMNA (0.44) LMNAMAPTHTTBLMAHR
SCHEMBL7027814 0.74 ITGB2 (0.44) LMNAHTTPIK3CAPGR
SCHEMBL12271941 0.73 KDM4E (0.38) LMNAMAPTHTTBLMPPARA
SCHEMBL1807823 0.72 MAPT (0.45) LMNAMAPTHTTBLMAHR
SCHEMBL17957751 0.71 LMNA (0.43) LMNAMAPTHTTBLMAHR
SCHEMBL17028711 0.69 PARP10 (0.43) PGR
SCHEMBL19594558 0.68 PIK3CA (0.40) LMNAMAPTHTTBLMPIK3CA
SCHEMBL29825555 0.68 MAOB (0.64) LMNAMAPTHTTBLMMAOB
SCHEMBL2066249 0.68 MAOB (0.64) LMNAMAPTHTTBLMMAOB
SCHEMBL19889280 0.68 LMNA (0.47) LMNAMAPTHTTBLMAHR

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-20120238549-A1 Nuclear Hormone Receptor Modulators ABBOTT LABORATORIES (US) 2012-09-20 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-20120238549-A1 Nuclear Hormone Receptor Modulators NR5A1, NR5A2, NR3C2 LMNA 2541/4885MAPT 4409/4885HTT 3006/4885

“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.