SCHEMBL14645993

SCHEMBL14645993

COc1c(C(C)(C)C)cc2c(c1-c1cc(C(C)(C)C)cc(C(C)(C)C)c1)C=C(C)[CH]2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.32
PTGS1 P23219 1/20 0.32
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL28934021 0.95
SCHEMBL25335426 0.90 PTGS2 (0.39) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL14645974 0.88 TDO2 (0.33) PTGS2ALDH1A1TSHRTDP1
SCHEMBL20165817 0.88 PTGS2 (0.32) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL27076840 0.86 PTGS2 (0.32) PTGS2PTGS1ALDH1A1TSHRTDP1
SCHEMBL14645800 0.84 PDE4B (0.40) PTGS2ALDH1A1TSHRTDP1
SCHEMBL20340256 0.84 TDO2 (0.31)
SCHEMBL23290964 0.84 TDO2 (0.31) PTGS2
SCHEMBL23291106 0.83 PTGS2 (0.32) PTGS2PTGS1
SCHEMBL21550601 0.83

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023161514-A1 NUCLEATED BIMODAL POLYPROPYLENE BOREALIS AG (AT) 2023-08-31 WO disclosed
EP-3562831-A1 CATALYSTS Borealis AG (AT) 2019-11-06 EP disclosed
WO-2018122134-A1 CATALYSTS BOREALIS AG (AT) 2018-07-05 WO disclosed
EP-2746289-B1 Catalysts BOREALIS AG (AT) 2017-09-27 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
US-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
WO-2014096164-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-2746289-A1 Catalysts Borealis AG (AT) 2014-06-25 EP disclosed
EP-2729479-A1 CATALYSTS Borealis AG (AT) 2014-05-14 EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 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 (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-20160002369-A1 CATALYSTS SIGMAR1, SFN, AP3S1 PTGS2 3592/4885PTGS1 4543/4885ALDH1A1 2476/4885
US-20160024123-A1 Asymmetrical Ligands CCRL2, AR, CCR2 PTGS2 1902/4885PTGS1 3955/4885ALDH1A1 2229/4885

“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.