SCHEMBL799768

SCHEMBL799768

Cc1ccc(C2CC2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
FFAR1 O14842 1/20 0.51
TDP1 Q9NUW8 2/20 0.45
LMNA P02545 2/20 0.41
SLC6A3 Q01959 4/20 0.41
SLC6A2 P23975 3/20 0.41
SLC6A4 P31645 3/20 0.41
KDM1A O60341 1/20 0.41
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40

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
SCHEMBL440565 0.86 SLC6A4 (0.45) TDP1SLC6A3SLC6A2SLC6A4KDM1A
SCHEMBL451958 0.86 SLC6A4 (0.45) TDP1SLC6A3SLC6A2SLC6A4KDM1A
SCHEMBL13859341 0.86 SLC9A1 (0.50) SLC6A3SLC6A2SLC6A4
SCHEMBL12894946 0.86 SLC9A1 (0.50) ALDH1A1LMNASLC6A3SLC6A2SLC6A4
SCHEMBL12894947 0.86 SLC9A1 (0.50) ALDH1A1LMNASLC6A3SLC6A2SLC6A4
SCHEMBL15314508 0.86 SLC6A4 (0.45) TDP1SLC6A3SLC6A2SLC6A4KDM1A
SCHEMBL804952 0.86 SLC9A1 (0.50) ALDH1A1LMNASLC6A3SLC6A2SLC6A4
SCHEMBL15977397 0.85 MAPK1 (0.55) ALDH1A1TDP1KDM1AMAPK1SMN1; SMN2
SCHEMBL15977398 0.85 MAPK1 (0.55) ALDH1A1TDP1KDM1AMAPK1SMN1; SMN2
SCHEMBL15977388 0.85 MAPK1 (0.55) ALDH1A1TDP1KDM1AMAPK1SMN1; SMN2

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-8853390-B2 Processes for preparing 1,2-substituted cyclopropyl derivatives ABBVIE INC. (US) 2014-10-07 US 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 ALDH1A1 1799/4885CYP1A2 591/4885CYP3A4 304/4885

“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.