SCHEMBL799523

SCHEMBL799523

CC(=O)[C@H]1C[C@@H]1c1ccc(C)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.64
CYP1A2 P05177 1/20 0.64
CYP3A4 P08684 1/20 0.64
CYP2C9 P11712 1/20 0.64
CYP2C19 P33261 1/20 0.64
FFAR1 O14842 3/20 0.60
TDP1 Q9NUW8 2/20 0.51
LMNA P02545 3/20 0.46
TP53 P04637 2/20 0.46
HPGD P15428 1/20 0.46
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46
MAPT P10636 1/20 0.45
ALOX12 P18054 1/20 0.45
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
SLC6A3 Q01959 1/20 0.43
HTR2A P28223 1/20 0.43
HTR2C P28335 1/20 0.43
HTR2B P41595 1/20 0.43

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
SCHEMBL21845792 1.00 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL799468 0.84 FFAR1 (0.81) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL19628622 0.84 FFAR1 (0.81) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL12466620 0.84 FFAR1 (0.81) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4209116 0.84 FFAR1 (0.81) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16232159 0.84 ALDH1A1 (0.64) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL301501 0.84 FFAR1 (0.81) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL4203114 0.84 FFAR1 (0.81) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15254699 0.82 SLC9A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL15254701 0.82 SLC9A1 (0.58) ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19

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.