SCHEMBL1454544

SCHEMBL1454544

CC1=Cc2ccccc2C1CC1c2ccccc2-c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.42
KDM4E B2RXH2 2/20 0.37
CHRM2 P08172 2/20 0.37
CHRM1 P11229 2/20 0.37
SLC6A2 P23975 2/20 0.37
ADRA1A P35348 2/20 0.37
DRD3 P35462 2/20 0.37
SLC6A3 Q01959 2/20 0.37
DRD2 P14416 2/20 0.37
LMNA P02545 2/20 0.37
TP53 P04637 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
ADRA2B P18089 1/20 0.37
ADRA2C P18825 1/20 0.37
NFKB1 P19838 1/20 0.37
CHRM3 P20309 1/20 0.37
HTR2C P28335 1/20 0.37
HRH1 P35367 1/20 0.37
THPO P40225 1/20 0.37

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
SCHEMBL1452870 0.91 HTR2A (0.42) HTR2AKDM4ECHRM2CHRM1SLC6A2
SCHEMBL1454082 0.86 HTR2A (0.44) HTR2AKDM4ECHRM2CHRM1SLC6A2
SCHEMBL1453576 0.85 PPIA (0.32) HTR2A
SCHEMBL1452313 0.83 HTR2A (0.30) HTR2A
SCHEMBL1452446 0.83 CACNB4 (0.31) HTR2ACHRM2SLC6A2ADRA1ADRD3
SCHEMBL1452370 0.83 PGR (0.37) HTR2ASLC6A2SLC6A3TP53HTR2C
SCHEMBL1453531 0.81 ALDH1A1 (0.36) NFKB1
SCHEMBL1454411 0.80 PDCD1 (0.34) HTR2AKDM4ECHRM2CHRM1SLC6A2
SCHEMBL7105374 0.79 HTR2A (0.47) HTR2AKDM4ECHRM2CHRM1SLC6A2
SCHEMBL1453689 0.79 HTR2A (0.34) HTR2AKDM4ECHRM2CHRM1SLC6A2

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 4 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

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 4085/4885KDM4E 3402/4885CHRM2 97/4885

“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.