SCHEMBL4198077

SCHEMBL4198077

CC1=Cc2c(cc(C)cc2-c2ccc(C(C)(C)C)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.37
PTAFR P25105 3/20 0.36
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KIF11 P52732 3/20 0.33
DGAT1 O75907 1/20 0.32
RXRA P19793 1/20 0.31
RXRB P28702 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
HTR1D P28221 1/20 0.30
ADRA1A P35348 1/20 0.30
NISCH Q9Y2I1 1/20 0.30
BRD4 O60885 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
SCHEMBL4198923 0.83 PTAFR (0.34) TSHRPTAFRALDH1A1NPC1RAB9A
SCHEMBL4203318 0.82 PSMB5 (0.38) TSHRALDH1A1MAPTLMNASMN1; SMN2
SCHEMBL29594761 0.81 BRD4 (0.36) TSHRPTAFRALDH1A1MAPTNPC1
SCHEMBL1807786 0.81 BRD4 (0.36) TSHRPTAFRALDH1A1MAPTNPC1
SCHEMBL28148566 0.80 BRD4 (0.36) TSHRPTAFRALDH1A1MAPTNPC1
Lithium SCHEMBL30438304 0.80 BRD4 (0.36) TSHRPTAFRALDH1A1MAPTNPC1
SCHEMBL29949127 0.80 ALDH1A1 (0.33) ALDH1A1MAPTNPC1RAB9ARXRA
SCHEMBL14645967 0.80 ALDH1A1 (0.33) ALDH1A1MAPTNPC1RAB9ARXRA
SCHEMBL29040664 0.80 BRD4 (0.36) TSHRPTAFRALDH1A1MAPTNPC1
Hydrochloric Acid SCHEMBL27911650 0.79 KIF11 (0.36) TSHRPTAFRALDH1A1MAPTNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2746289-B1 Catalysts BOREALIS AG (AT) 2017-09-27 EP disclosed
US-9469699-B2 Catalysts BOREALIS AG (AT) 2016-10-18 US disclosed
US-20160002369-A1 CATALYSTS BOREALIS AG (AT) 2016-01-07 US disclosed
CN-104870461-A Catalyst and process for preparing same BOREALIS AG 2015-08-26 CN 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-1636245-B1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2009-02-25 EP disclosed
US-20060252637-A1 Bisindenyl zirconium complexes for use in the polymerization of olefins BASELL POLYOLEFINE GMBH (DE) 2006-11-09 US disclosed
EP-1636245-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS Basell Polyolefine GmbH (DE) 2006-03-22 EP disclosed
WO-2004106351-A1 BISINDENYL ZIRCONIUM COMPLEXES FOR USE IN THE POLYMERISATION OF OLEFINS BASELL POLYOLEFINE GMBH (DE) 2004-12-09 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 (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-20160002369-A1 CATALYSTS SIGMAR1, SFN, AP3S1 TSHR 719/4885PTAFR 3871/4885ALDH1A1 2476/4885

“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.