SCHEMBL1101013

SCHEMBL1101013

IC1(Sc2ccccc2)CC1.c1ccc(SC2CC2)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
MAOA P21397 1/20 0.32
MAOB P27338 1/20 0.32
F2 P00734 2/20 0.31
PRSS1 P07477 2/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL104561 0.84 ALDH1A1 (0.40) ALDH1A1MAPK1
SCHEMBL12110641 0.80 CARM1 (0.50) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL102816 0.80 CARM1 (0.50) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL576029 0.72 MAOA (0.53) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL4696488 0.72 MAOA (0.48) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL5883656 0.71 CARM1 (0.44) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL779706 0.71 CARM1 (0.44) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL15270965 0.70 MAOA (0.57) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL576211 0.70 MAOA (0.57) CARM1PRMT6DDB1CRBNMAOA
SCHEMBL7802230 0.69 CARM1 (0.45) CARM1PRMT6DDB1CRBNMAOA

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-8551985-B2 Carbinol derivatives having heterocyclic linker KOWA COMPANY, LTD. (JP) 2013-10-08 US disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
US-20100280013-A1 CARBINOL DERIVATIVES HAVING HETEROCYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-11-04 US disclosed
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER KOWA COMPANY, LTD. (JP) 2010-02-25 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 (2 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 CARM1 797/4885PRMT6 2445/4885DDB1 2485/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR CARM1 1266/4885PRMT6 3702/4885DDB1 1911/4885

“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.