SCHEMBL14645939

SCHEMBL14645939

COc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c1C([Si](C)(C)Cl)C(C)=C2

nearest known ligand 0.31

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.31
CTSA P10619 1/20 0.30
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
CNR1 P21554 1/20 0.30
CNR2 P34972 1/20 0.30
KMT2A Q03164 1/20 0.30
NR1I2 O75469 1/20 0.30

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
SCHEMBL14141861 0.91 TDO2 (0.32) TDO2CTSAAKR1C3AKR1C2CNR1
SCHEMBL17301180 0.85 RXRB (0.30)
SCHEMBL15809350 0.85 RXRB (0.30)
SCHEMBL15827920 0.85 HTT (0.36) CNR1CNR2
SCHEMBL17301181 0.81 RXRB (0.30)
SCHEMBL15809148 0.81 RXRB (0.30)
SCHEMBL15809253 0.80 TDO2 (0.32) TDO2CTSAKMT2A
SCHEMBL15809030 0.80 TDO2 (0.32) TDO2CTSA
SCHEMBL18772556 0.79 AKR1C3 (0.30) AKR1C3AKR1C2CNR1CNR2NR1I2
SCHEMBL15821440 0.79 AKR1C3 (0.31) AKR1C3AKR1C2CNR1CNR2

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 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-9630980-B2 Asymmetrical ligands BOREALIS AG (AT) 2017-04-25 US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 US disclosed
US-9598517-B2 Catalysts BOREALIS AG (AT) 2017-03-21 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-20150344596-A1 CATALYSTS BOREALIS AG (AT) 2015-12-03 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 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
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
WO-2014096166-A1 CATALYSTS BOREALIS AG (AT) 2014-06-26 WO disclosed
EP-2746301-A1 Catalyst 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-20160024123-A1 Asymmetrical Ligands CCRL2, AR, CCR2 TDO2 1604/4885CTSA 4066/4885AKR1C3 198/4885
US-20150344596-A1 CATALYSTS SFN, AP3S1, H1-2 TDO2 1206/4885CTSA 4149/4885AKR1C3 310/4885

“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.