SCHEMBL104202

SCHEMBL104202

OCc1ccc(OC2CC2)cn1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MBOAT4 Q96T53 1/20 0.44
ACACB O00763 5/20 0.39
ACACA Q13085 2/20 0.39
CHRM4 P08173 1/20 0.39
GPR119 Q8TDV5 1/20 0.38
KCNH2 Q12809 1/20 0.36
MCHR1 Q99705 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TSHR P16473 1/20 0.36
MAP4K4 O95819 1/20 0.36
HRH3 Q9Y5N1 2/20 0.36
NOTUM Q6P988 1/20 0.36
CYP4F2 P78329 2/20 0.35
CYP4A11 Q02928 2/20 0.35
MAPT P10636 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35

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
SCHEMBL23529917 0.89 IKBKE (0.41) MBOAT4ACACBCHRM4KCNH2MCHR1
SCHEMBL23530101 0.85 MBOAT4 (0.37) MBOAT4ACACBCHRM4KCNH2MCHR1
SCHEMBL16828605 0.80 MBOAT4 (0.44) MBOAT4ACACBACACAGPR119KCNH2
SCHEMBL23530233 0.80 PARP1 (0.37) MBOAT4ACACBCHRM4KCNH2MCHR1
SCHEMBL14993168 0.79 KCNH2 (0.38) ACACBGPR119KCNH2MCHR1HRH3
SCHEMBL2136549 0.77 PARP15 (0.46) ACACACYP4F2CYP4A11
SCHEMBL16853886 0.76 MBOAT4 (0.46) MBOAT4ACACBACACAGPR119KCNH2
SCHEMBL23554538 0.76 NQO1 (0.50) ACACBTSHRNOTUMMAPT
SCHEMBL29550500 0.76 NQO1 (0.50) ACACBTSHRNOTUMMAPT
SCHEMBL2586308 0.75 LOX (0.47) MBOAT4ACACBACACAALDH1A1TSHR

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 7 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
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
EP-2426113-A1 CARBINOL COMPOUND HAVING HETEROCYCLIC LINKER Kowa Company, Ltd. (JP) 2012-03-07 EP disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP 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 MBOAT4 2947/4885ACACB 274/4885ACACA 429/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR MBOAT4 2700/4885ACACB 120/4885ACACA 200/4885

“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.