SCHEMBL6307246

SCHEMBL6307246

CC(Oc1ccc(O)cc1)C1CCCCN1.CCc1cc(O)ccc1-c1noc(-c2ccc(O)cc2)c1C(=O)c1c(-c2ccc(O)cc2CC)noc1-c1ccc(O)cc1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
ESR1 P03372 2/20 0.32
ESR2 Q92731 2/20 0.32
SLC6A2 P23975 4/20 0.32
SLC6A3 Q01959 4/20 0.32
SLC6A4 P31645 3/20 0.32
JAK1 P23458 3/20 0.31
JAK2 O60674 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31

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
SCHEMBL5729349 0.97 S1PR1 (0.33) S1PR1ESR1ESR2SLC6A2SLC6A3
SCHEMBL6307449 0.88 PTGS1 (0.35) SLC6A2SLC6A3SLC6A4
SCHEMBL5729705 0.87 ESR1 (0.35) S1PR1ESR1ESR2
SCHEMBL5729286 0.85 PTGS1 (0.34) SLC6A2SLC6A3SLC6A4
SCHEMBL6304492 0.83 MLLT1 (0.34)
SCHEMBL5731066 0.82 PTGS1 (0.34) ESR1ESR2
SCHEMBL5729633 0.82 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4
SCHEMBL5729513 0.82 SLC6A2 (0.37) SLC6A2SLC6A3SLC6A4
SCHEMBL5729411 0.81 ESR1 (0.36) ESR1ESR2SLC6A2SLC6A3SLC6A4
SCHEMBL5729312 0.81 PTGS1 (0.34) SLC6A2SLC6A3SLC6A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6869969-B2 Estrogen receptor modulators CHIRON CORPORATION (US) 2005-03-22 US disclosed
US-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors CHIRON CORPORATION 2004-05-27 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-20040102498-A1 Cycloalkylene compounds with substituents as anticancer agents, atheriosclerosis and estrogen receptors ESR2, GPER1, ESR1 S1PR1 376/4885ESR1 3/4885ESR2 1/4885

“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.