SCHEMBL721273

SCHEMBL721273

CN(C)c1ccccc1CC(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
TTR P02766 1/20 0.41
CYP2C19 P33261 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP3A4 P08684 1/20 0.40
HIF1A Q16665 1/20 0.40
BCL2 P10415 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
ADRA1A P35348 1/20 0.40
OPRK1 P41145 1/20 0.40
KCNH2 Q12809 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
SCHEMBL8677565 0.79 GAA (0.39) SMN1; SMN2MEN1KMT2ATTRCYP3A4
SCHEMBL10061749 0.79 RIPK1 (0.44) SMN1; SMN2CYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL28114102 0.76 MEN1 (0.44) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL11861084 0.73 AR (0.38) SMN1; SMN2CYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL2019079 0.70 MEN1 (0.40) SMN1; SMN2CHRM2CHRM4CHRM5CHRM1
SCHEMBL8730306 0.70 MAPT (0.45) SMN1; SMN2CYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL1674630 0.70 GAA (0.45) SMN1; SMN2CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL29408555 0.69 AR (0.50) SMN1; SMN2CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL3871304 0.69 AR (0.50) SMN1; SMN2CYP2C19CYP1A2CYP3A4ALDH1A1
SCHEMBL2558366 0.68 AKR1B1 (0.55) SMN1; SMN2TTRCYP1A2ADRA1AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101874033-B The manufacture method of organic alkali metal compound and organo-transition metal compound MITSUI CHEMICALS, INC. (JP) 2016-05-11 CN disclosed
EP-2226326-B1 METHOD FOR PRODUCING ORGANIC ALKALI METAL COMPOUND AND METHOD FOR PRODUCING ORGANIC TRANSITION METAL COMPOUND MITSUI CHEMICALS INC (JP) 2016-02-17 EP disclosed
US-8409480-B2 Process for preparing organic alkali metal compound and organic transition metal compound MITSUI CHEMICALS, INC. (JP) 2013-04-02 US disclosed
US-20120049391-A1 PROCESS FOR PREPARING ORGANIC ALKALI METAL COMPOUND AND ORGANIC TRANSITION METAL COMPOUND MITSUI CHEMICALS, INC. 2012-03-01 US disclosed
EP-2226326-A1 METHOD FOR PRODUCING ORGANIC ALKALI METAL COMPOUND AND METHOD FOR PRODUCING ORGANIC TRANSITION METAL COMPOUND Mitsui Chemicals, Inc. (JP) 2010-09-08 EP 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-20120049391-A1 PROCESS FOR PREPARING ORGANIC ALKALI METAL COMPOUND AND ORGANIC TRANSITION METAL COMPOUND NHP2, SSRP1, RER1 SMN1; SMN2 1788/4885CHRM2 2566/4885CHRM4 3012/4885

“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.