SCHEMBL816093

SCHEMBL816093

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

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 3/20 0.49
NFKB1 P19838 1/20 0.49
NFKB2 Q00653 1/20 0.49
RELA Q04206 1/20 0.49
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
PTPN1 P18031 2/20 0.40
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HSP90AB1 P08238 1/20 0.38
GAA P10253 1/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
TSHR P16473 1/20 0.36
IDO1 P14902 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.35

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
SCHEMBL12894651 0.88 GAA (0.52) ALOX5NFKB1NFKB2RELAGAA
SCHEMBL9971674 0.85 CYP4F2 (0.49) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL10015715 0.84 ALOX5 (0.44) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL8751252 0.82 ALOX5 (0.40) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL8137555 0.82 ALOX5 (0.43) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL815527 0.82 GABRA1 (0.44) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL17260612 0.82 THRA (0.49) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL8767270 0.81 GABRA1 (0.43) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL20138113 0.80 TDP1 (0.40) ALOX5NFKB1NFKB2RELAGABRA1
SCHEMBL26229210 0.80 ALOX5 (0.43) ALOX5NFKB1NFKB2RELAGABRA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3143086-A1 STABILISED RESIN COMPOSITION SABIC Global Technologies B.V. (NL) 2017-03-22 EP claimed
WO-2015173315-A1 STABILISED RESIN COMPOSITION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-11-19 WO claimed
EP-3143086-A1 STABILISED RESIN COMPOSITION SABIC Global Technologies B.V. (NL) 2017-03-22 EP disclosed
WO-2015173315-A1 STABILISED RESIN COMPOSITION SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2015-11-19 WO disclosed
US-20120245260-A1 Polyolefin Composition for Membranes Basell Poliolefine Italia, s.r.l. (IT) 2012-09-27 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 (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-20110054220-A1 POLYETHER POLYOLS, POLYESTER POLYOLS AND POLYURETHANES OF LOW RESIDUAL ALDEHYDE CONTENT PUF60, GPX4, AOX1 ALOX5 123/4885NFKB1 3862/4885NFKB2 2405/4885

“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.