SCHEMBL1453560

SCHEMBL1453560

CC1=Cc2c(-c3ccccc3)cccc2C1CCC1c2cc(Br)ccc2-c2ccc(Br)cc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PGR P06401 1/20 0.36
ALDH1A1 P00352 1/20 0.34
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CYP1A2 P05177 1/20 0.33
MAPK1 P28482 1/20 0.33
SLC6A3 Q01959 1/20 0.33
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.30
PDCD1 Q15116 1/20 0.30
CD274 Q9NZQ7 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
SCHEMBL1453454 0.90 PGR (0.36) PGRALDH1A1SLC6A2SLC6A4CYP1A2
SCHEMBL4623138 0.85 PDCD1 (0.39) ALDH1A1MAPK1HTR2APDCD1CD274
SCHEMBL1454090 0.85 PGR (0.34) PGRSLC6A2SLC6A4CYP1A2MAPK1
SCHEMBL1452679 0.85 TP53 (0.34) PGRSLC6A2SLC6A4CYP1A2MAPK1
SCHEMBL3998331 0.84 PDCD1 (0.38) MAPK1HTR2APDCD1CD274
SCHEMBL1452035 0.83 ALDH1A1 (0.40) ALDH1A1MAPK1PDCD1CD274
SCHEMBL1452009 0.81 PGR (0.34) PGR
SCHEMBL6890691 0.81 PDCD1 (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL7110286 0.81 PDCD1 (0.38) SLC6A2SLC6A4SLC6A3HTR2AHTR2C
SCHEMBL1453404 0.81 PGR (0.36) PGR

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 PGR 3676/4885ALDH1A1 2182/4885SLC6A2 2572/4885

“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.