SCHEMBL1949777

SCHEMBL1949777

C1=CC(CCCC2C=Cc3ccccc32)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.53
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 2/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
CHRM2 P08172 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CHRM1 P11229 1/20 0.42
DRD2 P14416 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
NFKB1 P19838 1/20 0.42
CHRM3 P20309 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR2C P28335 1/20 0.42
ADRA1A P35348 1/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.42
THPO P40225 1/20 0.42

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
SCHEMBL6673091 0.96 HTR6 (0.53) HTR6HTR2AKDM4ELMNATP53
SCHEMBL6675770 0.94 HTR6 (0.51) HTR6HTR2AKDM4ELMNATP53
SCHEMBL6675371 0.94 HTR6 (0.51) HTR6HTR2AKDM4ELMNATP53
SCHEMBL668105 0.91 HTR6 (0.56) HTR6HTR2AKDM4ELMNATP53
SCHEMBL8857119 0.89 HTR2A (0.46) HTR6HTR2AKDM4ELMNATP53
SCHEMBL20952390 0.89 HTR6 (0.55) HTR6HTR2AKDM4ELMNATP53
SCHEMBL5604259 0.89 HTR6 (0.55) HTR6HTR2AKDM4ELMNATP53
SCHEMBL4004561 0.89 HTR6 (0.55) HTR6HTR2AKDM4ELMNATP53
SCHEMBL8770696 0.89 HTR6 (0.55) HTR6HTR2AKDM4ELMNATP53
SCHEMBL9144867 0.89 HTR6 (0.55) HTR6HTR2AKDM4ELMNATP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1706437-B1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH CHEVRON PHILLIPS CHEMICAL CO (US) 2016-01-20 EP disclosed
US-20110137060-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS BASELL POLYOLEFIN GMBH (DE) 2011-06-09 US disclosed
US-7572875-B2 Ethylene homopolymers or copolymers having good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2009-08-11 US disclosed
US-20060229420-A1 Ethylene homopolymers or copolymers having good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY, LP 2006-10-12 US disclosed
US-7119153-B2 Dual metallocene catalyst for producing film resins with good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY LP 2006-10-10 US disclosed
EP-1706377-A1 CIS-ALKOXYSPIRO-SUBSTITUTED TETRAMIC ACID DERIVATIVES Bayer CropScience Aktiengesellschaft (DE) 2006-10-04 EP disclosed
EP-1706437-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH Chevron Phillips Chemical Company LP (US) 2006-10-04 EP disclosed
WO-2005070977-A1 DUAL METALLOCENE CATALYST FOR PRODUCING FILM RESINS WITH GOOD MACHINE DIRECTION (MD) ELMENDORF TEAR STRENGTH CHEVRON PHILLIPS CHEMICAL COMPANY, LP (US) 2005-08-04 WO disclosed
EP-1049704-B1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS BASELL POLYOLEFINE GMBH (DE) 2005-07-27 EP disclosed
US-20050159300-A1 Dual metallocene catalyst for producing film resins with good machine direction (MD) elmendorf tear strength CHEVRON PHILLIPS CHEMICAL COMPANY LP 2005-07-21 US disclosed
WO-2005066125-A1 CIS-ALKOXYSPIRO-SUBSTITUTED TETRAMIC ACID DERIVATIVES BAYER CROPSCIENCE AG (DE) 2005-07-21 WO disclosed
EP-0963990-B1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL CO (JP) 2004-10-06 EP disclosed
US-6433203-B1 COORDINATION POLYMERIZATION CATALYST; ALPHA-OLEFIN POLYMER BASELL TECHNOLOGY COMPANY BV (NL) 2002-08-13 US disclosed
US-6197990-B1 REACTING CYCLOPENTADIENE AND METAL HYDRIDE IN PRESENCE OF AMINE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2001-03-06 US disclosed
EP-1049704-A1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS Montell Technology Company bv (NL) 2000-11-08 EP disclosed
WO-2000031088-A1 BRIDGED METALLOCENES, PREPARATION, USE IN CATALYTIC SYSTEMS MONTELL TECHNOLOGY COMPANY BV (NL) 2000-06-02 WO disclosed
EP-0963990-A1 PROCESS FOR PRODUCING CYCLOPENTADIENYL METAL SALTS AND PROCESS FOR PRODUCING CYCLOPENTADIENE DERIVATIVES BY UTILIZING THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1999-12-15 EP disclosed
US-5824618-A TITANIUM COMPOUND, GROUP 1-3 COMPOUND, ORGANOCYCLIC COMPOUND NIPPON OIL CO., LTD. (JP) 1998-10-20 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 (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-20110137060-A1 PREPARATION OF ANSA METALLOCENE COMPOUNDS NCL, ARSA, NASP HTR6 4225/4885HTR2A 3836/4885KDM4E 3749/4885

“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.