SCHEMBL14142149

SCHEMBL14142149

COc1ccc(-c2cc(C(C)(C)C)cc(C(C)(C)C)c2)c2c1C=C(C)C2

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 1/20 0.32
AKR1C3 P42330 1/20 0.31
AKR1C2 P52895 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
ALDH1A1 P00352 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL14142238 0.89 TDO2 (0.32) TDO2AKR1C3AKR1C2CNR1CNR2
SCHEMBL19313295 0.83 CNR2 (0.36) CNR1CNR2ALDH1A1
SCHEMBL14645947 0.77 RXRB (0.34)
SCHEMBL14141860 0.76
SCHEMBL15810239 0.75 TDO2 (0.33) TDO2AKR1C3AKR1C2CNR1CNR2
SCHEMBL690593 0.72 TSHR (0.36) AKR1C3AKR1C2ALDH1A1SMN1; SMN2
SCHEMBL14142022 0.71 PTAFR (0.36)
SCHEMBL6031753 0.70 RXRB (0.36) ALDH1A1
SCHEMBL29594786 0.70 RXRB (0.36) ALDH1A1
SCHEMBL18649466 0.69 ACHE (0.33) TDO2AKR1C3AKR1C2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9988323-B2 Catalyst BOREALIS AG (AT) 2018-06-05 US disclosed
US-9988323-B2 Catalyst BOREALIS AG (AT) 2018-06-05 US disclosed
EP-2746301-B1 Catalyst BOREALIS AG (AT) 2018-05-30 EP disclosed
EP-2935295-B1 CATALYST BOREALIS AG (AT) 2018-02-07 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
EP-2729479-B1 CATALYSTS BOREALIS AG (AT) 2017-09-06 EP disclosed
US-20170137343-A1 Catalyst BOREALIS AG (AT) 2017-05-18 US disclosed
US-20170137343-A1 Catalyst BOREALIS AG (AT) 2017-05-18 US 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-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
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-2746301-A1 Catalyst Borealis AG (AT) 2014-06-25 EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 WO disclosed
EP-2532687-A2 Bridged Metallocene Catalysts Borealis AG (AT) 2012-12-12 EP 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-20170137343-A1 Catalyst C5, POR, C9 TDO2 1146/4885AKR1C3 71/4885AKR1C2 159/4885

“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.