SCHEMBL6326897

SCHEMBL6326897

CC(C)(C)Cc1ccc2c(c1)[CH]CCS2(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.33
THRA P10827 1/20 0.30
THRB P10828 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
SCHEMBL5713630 0.68 ESR1 (0.34) ESR1THRATHRB
SCHEMBL5713655 0.67 ESR1 (0.36) ESR1
SCHEMBL6335483 0.67 CTSD (0.37) ESR1THRATHRB
SCHEMBL5729135 0.66 ESR1 (0.35) ESR1
SCHEMBL5714129 0.66 ESR1 (0.35) ESR1
SCHEMBL5714602 0.65 ESR1 (0.34) ESR1THRATHRB
SCHEMBL5714448 0.63 NOTUM (0.38)
SCHEMBL16233041 0.63 AOC3 (0.42) ESR1
SCHEMBL8337671 0.62 CHEK1 (0.54) ESR1
SCHEMBL6685103 0.60 ESR1 (0.74) ESR1THRATHRB

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-20050123778-A1 Polyolefins made by catalyst comprising a noncoordinating anion and articles comprising them EXXONMOBIL CHEMICAL PATENTS INC. 2005-06-09 US claimed
EP-1406761-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) 2004-04-14 EP claimed
WO-2003000740-A2 POLYOLEFINS MADE BY CATALYST COMPRISING A NONCOORDINATING ANION AND ARTICLES COMPRISING THEM EXXONMOBIL CHEMICAL PATENTS INC. (US) 2003-01-03 WO claimed
US-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 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-20050239790-A1 Substituted hydroxyethylamine aspartyl protease inhibitors DNPEP, MME, ANPEP ESR1 3735/4885THRA 3670/4885THRB 3895/4885

“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.