SCHEMBL1454082

SCHEMBL1454082

CC1=Cc2ccccc2C1CCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.44
HRH1 P35367 4/20 0.44
KDM4E B2RXH2 2/20 0.44
CHRM2 P08172 2/20 0.44
CHRM1 P11229 2/20 0.44
SLC6A2 P23975 2/20 0.44
ADRA1A P35348 2/20 0.44
DRD3 P35462 2/20 0.44
SLC6A3 Q01959 2/20 0.44
DRD2 P14416 2/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
ADRA2B P18089 1/20 0.44
ADRA2C P18825 1/20 0.44
NFKB1 P19838 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2C P28335 1/20 0.44
THPO P40225 1/20 0.44

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
SCHEMBL1453437 0.91 HTR2A (0.42) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL4005225 0.89 HTR2A (0.41) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL7105374 0.87 HTR2A (0.47) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL1454544 0.86 HTR2A (0.42) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL1453408 0.85 HTR2A (0.36) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL1451970 0.83 PGR (0.37) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL1451646 0.83 KDM4E (0.34) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL1452967 0.83 HTR2A (0.34) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL7783135 0.81 HTR2A (0.39) HTR2AHRH1KDM4ECHRM2CHRM1
SCHEMBL1453750 0.81 NFKB1 (0.36) HTR2AHRH1KDM4ECHRM2CHRM1

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 7 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
US-6297333-B1 METALLOCENE TRANSITION METAL COMPOUND HAVING AN INDENYL GROUP AND A FLUORENYL GROUP AS LIGANDS, SPECIFIC SUBSTITUENT ON A SPECIFIC POSITION OF THE INDENYL GROUP GIVES HIGH MOLECULAR WEIGHT AND HIGH ACTIVITY MITSUI CHEMICALS INC (JP) 2001-10-02 US disclosed
US-6004897-A TRANSITION METAL INDENE-FLUORINE COMPLEX COORDINATION CATALYST WITH ORGANOALUMINUM AND ALUMOXANE COMPOUNDS MITSUI CHEMICALS, INC. (JP) 1999-12-21 US disclosed
EP-0754698-A2 An olefin polymerization catalyst and a process for preparing olefin polymer MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1997-01-22 EP 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-20070135596-A1 Preparation of substituted bridged indenyl and related ligands SP1, TTL, TTLL12 HTR2A 4085/4885HRH1 1123/4885KDM4E 3402/4885

“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.