SCHEMBL815527

SCHEMBL815527

CC(=O)CCc1cc(CC(C)C)c(O)c(CC(C)C)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
ALDH1A1 P00352 1/20 0.43
ALOX5 P09917 2/20 0.43
NFKB1 P19838 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
IAPP P10997 1/20 0.41
TP53 P04637 2/20 0.37
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
MAOA P21397 1/20 0.37
SLC6A2 P23975 1/20 0.37
RAB9A P51151 1/20 0.37
SLC6A3 Q01959 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL17260612 0.86 THRA (0.49) GABRA1GABRB2ALDH1A1ALOX5NFKB1
SCHEMBL8767270 0.85 GABRA1 (0.43) GABRA1GABRB2ALDH1A1ALOX5NFKB1
SCHEMBL816093 0.82 ALOX5 (0.49) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL9973601 0.80 ALDH1A1 (0.47) ALDH1A1ALOX5NFKB1NFKB2RELA
SCHEMBL9971674 0.80 CYP4F2 (0.49) GABRA1GABRB2ALDH1A1ALOX5NFKB1
SCHEMBL10015715 0.79 ALOX5 (0.44) GABRA1GABRB2ALDH1A1ALOX5NFKB1
SCHEMBL17260589 0.79 THRA (0.46) GABRA1GABRB2ALDH1A1ALOX5NFKB1
SCHEMBL16182674 0.78 GABRA1 (0.50) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL28666259 0.78 THRA (0.47) GABRA1GABRB2ALOX5NFKB1NFKB2
SCHEMBL17260608 0.77 PYGL (0.48) ALDH1A1ALOX5NFKB1NFKB2RELA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8518302-B2 Stabilization of organic materials BASF SE (DE) 2013-08-27 US disclosed
US-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS GERSTER MICHELE (CH) 2012-04-12 US disclosed
US-20110054220-A1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT GOH CHIN SIONG 2011-03-03 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 (2 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-20120088869-A1 STABILIZATION OF ORGANIC MATERIALS LPO, AOX1, SOD1 GABRA1 3552/4885GABRB2 4501/4885ALDH1A1 6/4885
US-20110054220-A1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT PUF60, GPX4, AOX1 GABRA1 2457/4885GABRB2 1776/4885ALDH1A1 88/4885

“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.