SCHEMBL804952

SCHEMBL804952

CC(C)(C)OC(=O)C1CC1c1ccc(Cl)cc1

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.50
SLC6A4 P31645 7/20 0.45
SLC6A3 Q01959 7/20 0.45
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
TP53 P04637 1/20 0.42
HPGD P15428 1/20 0.42
SLC6A2 P23975 5/20 0.41

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
SCHEMBL12894946 1.00 SLC9A1 (0.50) SLC9A1SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL12894947 1.00 SLC9A1 (0.50) SLC9A1SLC6A4SLC6A3ALDH1A1LMNA
SCHEMBL799768 0.86 ALDH1A1 (0.54) SLC6A4SLC6A3ALDH1A1LMNATP53
SCHEMBL451958 0.84 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL15314508 0.84 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL440565 0.84 SLC6A4 (0.45) SLC6A4SLC6A3SLC6A2
SCHEMBL13859341 0.84 SLC9A1 (0.50) SLC9A1SLC6A4SLC6A3SLC6A2
SCHEMBL15977398 0.84 MAPK1 (0.55) SLC9A1ALDH1A1HPGD
SCHEMBL15977397 0.84 MAPK1 (0.55) SLC9A1ALDH1A1HPGD
SCHEMBL15977388 0.84 MAPK1 (0.55) SLC9A1ALDH1A1HPGD

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
EP-2268140-B1 NOVEL COMPOUNDS ADVANTAGEOUS IN THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES AND DISORDERS AURIMMED PHARMA INC (US) 2020-11-11 EP disclosed
US-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives ABBOTT LABORATORIES (US) 2012-03-22 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-20120071651-A1 Processes for Preparing 1,2-Substituted Cyclopropyl Derivatives HRH3, HRH4, HRH1 SLC9A1 320/4885SLC6A4 466/4885SLC6A3 825/4885

“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.