SCHEMBL12132801

SCHEMBL12132801

ClC[C@@H]1COC(CCl)(c2ccccc2)O1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL12132845 1.00 GRIN1 (0.37) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL12132844 1.00 GRIN1 (0.37) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL12132799 0.91 HTR1A (0.34) GRIN1GRIN2AHTR1AADRA1DADRA1A
SCHEMBL12132793 0.87 GRIN1 (0.36) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL12132792 0.87 GRIN1 (0.36) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL12662845 0.87 GRIN1 (0.36) GRIN1GRIN2ACHRM2CHRM4CHRM5
SCHEMBL12132821 0.87 ADRA1A (0.36) HTR1AADRA1DADRA1AADRA1B
SCHEMBL1349974 0.87 CYP3A4 (0.35)
SCHEMBL12132772 0.87 CYP3A4 (0.35)
SCHEMBL12132837 0.87 CYP3A4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US disclosed
US-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-11-24 US disclosed
EP-2325178-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND DAISO CO., LTD. (JP) 2011-05-25 EP disclosed
WO-2010013510-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND ダイソー株式会社 (JP) 2010-02-04 WO 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-20110288315-A1 PROCESS FOR PRODUCTION OF OPTICALLY ACTIVE COMPOUND CYP51A1, KMO, TALDO1 GRIN1 2803/4885GRIN2A 3386/4885CHRM2 2189/4885

“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.