SCHEMBL103345

SCHEMBL103345

CC=Cc1cc(C(=O)O)ccc1N1CCN(Cc2ccccc2)[C@H](C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.40
MAPK14 Q16539 1/20 0.39
PRMT1 Q99873 1/20 0.39
HTR1A P08908 2/20 0.38
DRD2 P14416 2/20 0.38
HTR7 P34969 2/20 0.38
HTR6 P50406 2/20 0.38
MAPT P10636 5/20 0.38
POLB P06746 3/20 0.38
TP53 P04637 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PDK1 Q15118 1/20 0.38
PDK2 Q15119 1/20 0.38
PDK3 Q15120 1/20 0.38
PDK4 Q16654 1/20 0.38
CHRM4 P08173 1/20 0.37
KDM4E B2RXH2 2/20 0.37
GAA P10253 1/20 0.37
NR4A1 P22736 1/20 0.37
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL103346 1.00 GSK3B (0.40) GSK3BMAPK14PRMT1HTR1ADRD2
SCHEMBL104178 0.91 NPC1 (0.43) GSK3BPRMT1HTR1ADRD2HTR7
SCHEMBL104179 0.91 NPC1 (0.43) GSK3BPRMT1HTR1ADRD2HTR7
SCHEMBL104180 0.91 NPC1 (0.43) GSK3BPRMT1HTR1ADRD2HTR7
SCHEMBL103212 0.87 PRMT1 (0.38) GSK3BMAPK14PRMT1HTR1ADRD2
SCHEMBL103214 0.87 PRMT1 (0.38) GSK3BMAPK14PRMT1HTR1ADRD2
SCHEMBL103213 0.87 PRMT1 (0.38) GSK3BMAPK14PRMT1HTR1ADRD2
SCHEMBL103125 0.80 PDK1 (0.41) GSK3BPDK1PDK2PDK3PDK4
SCHEMBL103126 0.80 PDK1 (0.41) GSK3BPDK1PDK2PDK3PDK4
SCHEMBL103413 0.76 PPARG (0.35) GSK3BPDK1PDK2PDK3PDK4

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
EP-2426113-B1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER KOWA CO (JP) 2013-11-06 EP disclosed
US-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 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-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER NR1H2, NR1H3, CCR2 GSK3B 594/4885MAPK14 1604/4885PRMT1 1793/4885

“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.