SCHEMBL1451802

SCHEMBL1451802

Brc1cccc2c1C=C(CC1=Cc3c(Br)cccc3C1)C2

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.30
SLC6A2 P23975 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
SLC6A4 P31645 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
SCHEMBL1451857 0.88 TAAR1 (0.32) TRPA1SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2975173 0.85 GABRA1 (0.33)
SCHEMBL2971129 0.82 ALDH1A1 (0.34)
SCHEMBL2970251 0.79 DRD2 (0.33) SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2968517 0.78 HTR2A (0.37) SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2970470 0.77 HTR2A (0.39) SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2972150 0.77 HTR2A (0.39) SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2969328 0.77 HTR2A (0.39) SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2957327 0.77 HTR2A (0.39) SLC6A2HTR2AHTR2CSLC6A4
SCHEMBL2965963 0.77 HTR2A (0.39) SLC6A2HTR2AHTR2CSLC6A4

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 TRPA1 792/4885SLC6A2 2572/4885HTR2A 4085/4885

“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.