SCHEMBL1092306

SCHEMBL1092306

CC(C)OC(=O)c1ccc(OC(C)C)c(F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
KCNQ3 O43525 1/20 0.51
KCNQ2 O43526 1/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 3/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HTT P42858 3/20 0.46
LMNA P02545 2/20 0.46
MAPK1 P28482 1/20 0.46
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
CYP4F2 P78329 1/20 0.44
CYP4A11 Q02928 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42

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
SCHEMBL2586590 0.87 KCNQ3 (0.54) CA12CA1CA2CA7CA9
SCHEMBL1091884 0.83 KCNQ3 (0.53) KCNQ3KCNQ2RAB9AMEN1KMT2A
SCHEMBL1091755 0.83 RAB9A (0.67) CA12CA1CA2CA7CA9
SCHEMBL2549239 0.83 CA12 (0.61) CA12CA1CA2CA7CA9
SCHEMBL25139939 0.82 KCNQ3 (0.55) KCNQ3KCNQ2RAB9AMEN1KMT2A
SCHEMBL2544970 0.82 CA12 (0.56) CA12CA1CA2CA7CA9
SCHEMBL27812382 0.81 THRA (0.48) CA12CA1CA2CA7CA9
SCHEMBL8886754 0.81 ALDH1A1 (0.55) CA12CA1CA2CA7CA9
SCHEMBL403444 0.81 CA12 (0.54) CA12CA1CA2CA7CA9
SCHEMBL6114150 0.81 CA12 (0.54) CA12CA1CA2CA7CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116836157-A Oxadiazole derivative and preparation method and application thereof 星希尔生物科技(上海)有限公司 2023-10-03 CN disclosed
WO-2023179366-A1 OXADIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF 星希尔生物科技(上海)有限公司 2023-09-28 WO disclosed
US-8153634-B2 Carbinol derivatives having cyclic linker KOWA COMPANY, LTD. (JP) 2012-04-10 US disclosed
CN-102105452-A Substituted carbinol compound having cyclic linker KOWA CO 2011-06-22 CN disclosed
EP-2281817-A1 SUBSTITUTED CARBINOL COMPOUND HAVING CYCLIC LINKER Kowa Company, Ltd. (JP) 2011-02-09 EP 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 (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-20100048610-A1 CARBINOL DERIVATIVES HAVING CYCLIC LINKER NR1H2, NR1H3, LDLR CA12 2793/4885CA1 2009/4885CA2 1245/4885

“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.