SCHEMBL17050432

SCHEMBL17050432

CC(C)c1nc2ccc(C(C)C)c(Cl)c2s1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 15/20 0.41
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
ACACA Q13085 1/20 0.39
TLR8 Q9NR97 1/20 0.38
TLR7 Q9NYK1 1/20 0.38
RAB9A P51151 2/20 0.33
NPC1 O15118 1/20 0.33
SCN4A P35499 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MAPT P10636 1/20 0.31
PAX8 Q06710 1/20 0.31
NOD2 Q9HC29 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
LMNA P02545 1/20 0.31
CASR P41180 1/20 0.31

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
SCHEMBL17050426 0.83 RAB9A (0.41) ACACBACACATLR8TLR7RAB9A
SCHEMBL18026698 0.81 ACACB (0.43) ACACBCYP3A4CYP2C9CYP2C19ACACA
SCHEMBL19598890 0.81 TLR8 (0.46) ACACBCYP3A4CYP2C9CYP2C19ACACA
SCHEMBL17050425 0.79 ACACB (0.35) ACACBCYP2C9ACACA
SCHEMBL17050422 0.79 NPC1 (0.40) ACACBCYP2C9CYP2C19ACACATLR8
SCHEMBL17050427 0.78 ACACB (0.36) ACACBCYP2C9ACACA
SCHEMBL19224384 0.75 TLR8 (0.46) CYP3A4TLR8TLR7RAB9AMAPT
SCHEMBL17250000 0.74 PSMB8 (0.51) ACACBCYP3A4CYP2C9CYP2C19ACACA
SCHEMBL14066392 0.71 TLR8 (0.40) ACACBCYP3A4CYP2C9CYP2C19ACACA
SCHEMBL24199111 0.69 NPC1 (0.43) ACACBCYP3A4CYP2C9CYP2C19ACACA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150246938-A1 NOVEL OLEFIN DERIVATIVE SHIONOGI & CO., LTD. (JP) 2015-09-03 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-20150246938-A1 NOVEL OLEFIN DERIVATIVE ACSS2, ACACB, ACAT2 ACACB 2/4885CYP3A4 589/4885CYP2C9 524/4885

“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.