SCHEMBL14645972

SCHEMBL14645972

CC1=Cc2cc(C(C)(C)C)cc(-c3ccccc3)c2C1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PLA2G1B P04054 1/20 0.33
NFKB1 P19838 1/20 0.33
CASP3 P42574 1/20 0.33
RAB9A P51151 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CYP19A1 P11511 1/20 0.32
RXRA P19793 1/20 0.32
RXRB P28702 1/20 0.32
PTAFR P25105 1/20 0.32
ESR2 Q92731 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
SCHEMBL15808761 0.89 PTAFR (0.34) NPC1RAB9APTAFR
SCHEMBL15809151 0.86 KDM4E (0.32) RXRARXRB
SCHEMBL2422398 0.82 NPC1 (0.34) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL15808729 0.79 PTAFR (0.39) NPC1RAB9ARXRARXRBPTAFR
SCHEMBL2974106 0.78 AKR1C3 (0.37) NPC1ALDH1A1RAB9AESR2
SCHEMBL2481681 0.78 CYP2A6 (0.37) ALDH1A1L3MBTL1ESR2
SCHEMBL29949127 0.77 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL14645967 0.77 ALDH1A1 (0.33) NPC1ALDH1A1PLA2G1BNFKB1CASP3
SCHEMBL15825967 0.77 RXRA (0.32) RXRARXRB
SCHEMBL14142022 0.76 PTAFR (0.36) RXRARXRBPTAFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2722345-B1 CATALYST FOR THE POLYMERISATION OF OLEFINS BOREALIS AG (AT) 2018-12-05 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-9567351-B2 Heterophasic copolymers BOREALIS AG (AT) 2017-02-14 US disclosed
US-9475890-B2 Catalyst BOREALIS AG (AT) 2016-10-25 US disclosed
US-9469700-B2 Polymerisation process and catalyst BOREALIS AG (AT) 2016-10-18 US disclosed
EP-2729529-B1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2016-04-27 EP disclosed
US-20160024123-A1 Asymmetrical Ligands BOREALIS AG (AT) 2016-01-28 US disclosed
US-9187583-B2 Catalysts BOREALIS AG (AT) 2015-11-17 US disclosed
US-20150266979-A1 CATALYST BOREALIS AG (AT) 2015-09-24 US disclosed
US-20150259442-A1 POLYMERISATION PROCESS AND CATALYST BOREALIS AG (AT) 2015-09-17 US disclosed
US-20140221584-A1 CATALYSTS BOREALIS AG (AT) 2014-08-07 US disclosed
US-20140206819-A1 HETEROPHASIC COPOLYMERS BOREALIS AG (AT) 2014-07-24 US disclosed
EP-2729479-A1 CATALYSTS Borealis AG (AT) 2014-05-14 EP disclosed
EP-2729529-A1 HETEROPHASIC COPOLYMERS Borealis AG (AT) 2014-05-14 EP disclosed
WO-2014060540-A1 POLYMERISATION PROCESS AND CATALYST BOREALIS AG (AT) 2014-04-24 WO disclosed
EP-2722345-A1 Catalyst Borealis AG (AT) 2014-04-23 EP disclosed
EP-2722346-A1 Polymerisation process and catalyst Borealis AG (AT) 2014-04-23 EP disclosed
WO-2013007650-A1 CATALYSTS BOREALIS AG (AT) 2013-01-17 WO disclosed
WO-2013007664-A1 HETEROPHASIC COPOLYMERS 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 (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-20160024123-A1 Asymmetrical Ligands CCRL2, AR, CCR2 NPC1 2122/4885ALDH1A1 2229/4885PLA2G1B 3505/4885

“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.