SCHEMBL667922

SCHEMBL667922

c1ccc2c(c1)CC1(CCc3ccccc31)C2

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 16/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
KDM1A O60341 1/20 0.47
MAOB P27338 1/20 0.47
SLC18A3 Q16572 2/20 0.46
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HRH1 P35367 1/20 0.44
HTR2B P41595 1/20 0.44

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
SCHEMBL19041309 0.86 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL29860963 0.86 SIGMAR1 (0.58) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30487943 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL3739484 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30049093 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL23833670 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30487948 0.82 SIGMAR1 (0.54) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL30666950 0.80 SIGMAR1 (0.55) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL6269912 0.78 SIGMAR1 (0.51) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4
SCHEMBL22281808 0.78 HTR2A (0.52) SIGMAR1ALDH1A1TP53CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969628-B2 Method for enriching a homogeneous catalyst from a process flow EVONIK DEGUSSA GMBH (DE) 2015-03-03 US disclosed
EP-2401078-B1 METHOD FOR ENRICHING A HOMOGENOUS CATALYST FROM A PROCESS FLOW EVONIK DEGUSSA GMBH (DE) 2013-10-23 EP disclosed
US-20120046503-A1 METHOD FOR ENRICHING A HOMOGENEOUS CATALYST FROM A PROCESS FLOW EVONIK OXENO GMBH (DE) 2012-02-23 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-20120046503-A1 METHOD FOR ENRICHING A HOMOGENEOUS CATALYST FROM A PROCESS FLOW PARG, PHOSPHO1, COG6 SIGMAR1 2870/4885ALDH1A1 4227/4885TP53 4744/4885

“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.