SCHEMBL103271

SCHEMBL103271

CC(=O)OCc1ccc(OC(C)C)cn1

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ACACB O00763 14/20 0.45
POLB P06746 1/20 0.44
ACACA Q13085 6/20 0.43
KMT2A Q03164 1/20 0.40
PARP10 Q53GL7 1/20 0.39
ALDH1A1 P00352 2/20 0.38

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
SCHEMBL1059319 0.83 ALDH1A1 (0.44) POLBALDH1A1
SCHEMBL11375563 0.83 ALDH1A1 (0.44) POLBALDH1A1
SCHEMBL9263293 0.81 ALDH1A1 (0.50) ACACBPOLBKMT2APARP10ALDH1A1
SCHEMBL9566772 0.81 ALDH1A1 (0.38) ACACBACACAKMT2AALDH1A1
SCHEMBL3300820 0.80 PDE3B (0.42) ACACBALDH1A1
SCHEMBL8170006 0.79 ALDH1A1 (0.46) KMT2AALDH1A1
SCHEMBL12896078 0.79 POLB (0.47) ACACBPOLBACACAKMT2APARP10
SCHEMBL509590 0.78 ALDH1A1 (0.47) ACACBACACAALDH1A1
SCHEMBL29797064 0.77 ACACB (0.42) ACACBPOLBACACAKMT2APARP10
SCHEMBL103812 0.77 ACACB (0.42) ACACBPOLBACACAKMT2APARP10

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 ACACB 274/4885POLB 2961/4885ACACA 429/4885
US-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR ACACB 120/4885POLB 1666/4885ACACA 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.