SCHEMBL1453055

SCHEMBL1453055

CC1=C(CCC2c3ccccc3-c3ccccc32)C2=Cc3ccccc3CC2=C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.37
HTR2A P28223 9/20 0.35
HRH1 P35367 7/20 0.35
DRD2 P14416 4/20 0.34
DRD4 P21917 3/20 0.34
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
TDO2 P48775 1/20 0.30
ACHE P22303 1/20 0.30
KDM4E B2RXH2 1/20 0.30
LMNA P02545 1/20 0.30
TP53 P04637 1/20 0.30
CHRM2 P08172 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
CHRM1 P11229 1/20 0.30
ADRA2B P18089 1/20 0.30
ADRA2C P18825 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
SCHEMBL1453820 0.88 PTGS2 (0.39) PTGS2HTR2AHRH1DRD2DRD4
SCHEMBL1453878 0.87 CYP11B1 (0.32) PTGS2HTR2AHRH1CYP11B1CYP11B2
SCHEMBL1453622 0.83 CYP11B2 (0.41) PTGS2HTR2ADRD2DRD4CYP11B1
SCHEMBL1454038 0.81 HTR6 (0.33) PTGS2CYP11B1CYP11B2
SCHEMBL1453738 0.77 CYP11B2 (0.41) PTGS2HTR2ADRD2DRD4CYP11B1
SCHEMBL1453266 0.77 HTR1A (0.41) PTGS2HTR2AHRH1DRD2DRD4
SCHEMBL1452336 0.77 ACHE (0.33) PTGS2HTR2AHRH1DRD2DRD4
SCHEMBL1454202 0.75 DRD2 (0.35) HTR2AHRH1DRD2DRD4KDM4E
SCHEMBL29262894 0.74 HTR2A (0.43) PTGS2HTR2AHRH1MTNR1AMTNR1B
SCHEMBL1453772 0.74 HTR2A (0.31) HTR2AHRH1DRD2KDM4ELMNA

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 PTGS2 4664/4885HTR2A 4085/4885HRH1 1123/4885

“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.