SCHEMBL2385863

SCHEMBL2385863

CC1C(C2CCCCC2)=Cc2cccc(-c3ccc(C(C)(C)C)cc3)c21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTAFR P25105 2/20 0.36
BRD4 O60885 1/20 0.36
CREBBP Q92793 1/20 0.36
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
PTGS2 P35354 1/20 0.33
CHRM3 P20309 1/20 0.32
TP53 P04637 2/20 0.31
LMNA P02545 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
RAB9A P51151 2/20 0.31
NPC1 O15118 1/20 0.31
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
XBP1 P17861 1/20 0.30
ALOX12 P18054 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
S1PR1 P21453 1/20 0.30
EPHX1 P07099 1/20 0.30
EPHX2 P34913 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
SCHEMBL28019488 0.85 PTGS2 (0.36) CYP3A4CYP2C9PTGS2LMNASMN1; SMN2
SCHEMBL5690313 0.77 BRD4 (0.38) PTAFRBRD4CREBBPTP53LMNA
SCHEMBL3065043 0.74 HRH3 (0.37) BRD4CREBBPCYP2C9SMN1; SMN2RAB9A
SCHEMBL5689983 0.74 BRD4 (0.36) PTAFRBRD4CREBBPTP53LMNA
SCHEMBL4471130 0.73 PTAFR (0.37) PTAFRBRD4CREBBPCYP3A4CYP2C9
SCHEMBL4469495 0.72 PTAFR (0.38) PTAFRBRD4CREBBPCYP3A4CYP2C9
Hydrochloric Acid SCHEMBL5690129 0.70 PTGS2 (0.35) BRD4CREBBPCYP3A4CYP2C9PTGS2
Hydrochloric Acid SCHEMBL6892675 0.69 PTGS2 (0.35) BRD4CREBBPCYP3A4CYP2C9PTGS2
SCHEMBL27199723 0.69 TSHR (0.37) PTAFRBRD4CREBBPTP53LMNA
Hydrochloric Acid SCHEMBL6886337 0.68 PTGS2 (0.34) BRD4CREBBPCYP3A4CYP2C9PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101889030-B Metallocene compound, catalyst containing the same, and process for producing olefin polymer using the catalyst LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2013-07-17 CN disclosed
US-8415492-B2 Metallocene compounds, catalysts comprising them, process for producing an olefin polymer by use of the catalysts, and olefin homo- and copolymers LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2013-04-09 US disclosed
EP-2384343-A1 NEW METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS Lummus Novolen Technology Gmbh (DE) 2011-11-09 EP disclosed
US-20110230630-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2011-09-22 US disclosed
CN-101889030-A Metallocene compound, catalyst containing the same, process for producing olefin polymer using the catalyst, and olefin homopolymer and copolymer NOVOLEN TECH HOLDINGS CV 2010-11-17 CN disclosed
WO-2010077230-A1 NEW METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS LUMMUS NOVOLEN TECHNOLOGY GMBH (DE) 2010-07-08 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-20110230630-A1 METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO- AND COPOLYMERS PIN1, PCNA, OPRM1 PTAFR 2233/4885BRD4 453/4885CREBBP 3229/4885

“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.