SCHEMBL1453759

SCHEMBL1453759

CC(C)C1=Cc2ccccc2C1CC1C(C(C)C)=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
KDM4E B2RXH2 2/20 0.35
LMNA P02545 1/20 0.35
TP53 P04637 1/20 0.35
CHRM2 P08172 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CHRM1 P11229 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
ADRA2C P18825 1/20 0.35
NFKB1 P19838 1/20 0.35
CHRM3 P20309 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
THPO P40225 1/20 0.35
OPRK1 P41145 1/20 0.35

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
SCHEMBL1453689 0.93 HTR2A (0.34) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL1452984 0.89 HTR2A (0.39) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL1452810 0.82 HTR2A (0.35) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL1452993 0.81
SCHEMBL1452870 0.78 HTR2A (0.42) HTR2AKDM4ELMNATP53CHRM2
Hydrochloric Acid SCHEMBL27932951 0.77 CDC25A (0.31) HTR2ACDC25ACDC25B
Fluoride Ion SCHEMBL27932962 0.77 CDC25A (0.31) HTR2ACDC25ACDC25B
Iodide SCHEMBL27948719 0.77 CDC25A (0.31) HTR2ACDC25ACDC25B
Bromide SCHEMBL27933105 0.77 HTR2A (0.34) HTR2AKDM4ELMNATP53CHRM2
SCHEMBL5160641 0.76 CDC25A (0.32) CDC25ACDC25B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7910783-B2 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. (US) 2011-03-22 US disclosed
EP-1971621-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS ExxonMobil Chemical Patents Inc. (US) 2008-09-24 EP disclosed
WO-2007070045-A1 PREPARATION OF SUBSTITUTED BRIDGED INDENYL AND RELATED LIGANDS EXXONMOBIL CHEMICAL PATENTS, INC. (US) 2007-06-21 WO disclosed
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands EXXONMOBIL CHEMICAL PATENTS INC. 2007-06-14 US disclosed
EP-1017729-B1 PROCESS FOR THE PREPARATION OF SUBSTANTIALLY AMORPHOUS ALPHA-OLEFIN POLYMERS, COMPOSITIONS CONTAINING THEM AND PROCESS FOR THE PREPARATION OF BRIDGED LIGAND BASELL POLYOLEFINE GMBH (DE) 2005-09-14 EP disclosed
US-6844288-B2 Process for the preparation of ligands for metallogene catalysts BASELL POLYOLEFINE GMBH (DE) 2005-01-18 US disclosed
US-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand EQUISTAR CHEMICALS, LP 2003-08-21 US disclosed
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts RESCONI LUIGI (IT) 2002-11-14 US disclosed
US-6423796-B1 COORDINATION CATALYST BASEL TECHNOLOGY COMPANY BV (NL) 2002-07-23 US 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 (3 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-20030158356-A1 Process for the preparation of substantially amorphous alpha-olefin polymers and compositions containing them and process for the preparation of bridged ligand MACF1, SDC1, SDC2 HTR2A 4160/4885KDM4E 3924/4885LMNA 1502/4885
US-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 HTR2A 4085/4885KDM4E 3402/4885LMNA 1155/4885
US-20020169260-A1 Process for the preparation of ligands for metallocene catalysts SDC1, SDC2, SDC4 HTR2A 3843/4885KDM4E 4267/4885LMNA 1648/4885

“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.