SCHEMBL4258796

SCHEMBL4258796

C[CH]C(C)(C)CC1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.39
SIGMAR1 Q99720 3/20 0.33
ADH1B P00325 1/20 0.32
ADH1C P00326 1/20 0.32
ADH1A P07327 1/20 0.32
ADH4 P08319 1/20 0.32
ADH7 P40394 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
ACHE P22303 1/20 0.30
CHRM5 P08912 2/20 0.30
GRM2 Q14416 1/20 0.30
GRM3 Q14832 1/20 0.30
ADRA2C P18825 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM1 P11229 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
SCHEMBL7353900 0.79 ADH1A (0.40) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL98092 0.79 ADH1A (0.40) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL1524628 0.76 CYP1A2 (0.48) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL1643889 0.73 CYP1A2 (0.43) CYP1A2SIGMAR1THRATHRBACHE
SCHEMBL6266859 0.73 CYP1A2 (0.33) CYP1A2THRATHRB
SCHEMBL13464765 0.70 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL11741926 0.70 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL1412706 0.70 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL21964977 0.70 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A
SCHEMBL7471784 0.70 CYP1A2 (0.42) CYP1A2SIGMAR1ADH1BADH1CADH1A

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-20090312559-A1 CATALYTIC ENANTIOSELECTIVE SILYLATIONS OF SUBSTRATES NATIONAL INSTITUTES OF HEALTH, U.S. DEPARTMENT OF HEALTH AND HUMAN SERVICES, U.S. GOVERNMENT 2009-12-17 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-20090312559-A1 CATALYTIC ENANTIOSELECTIVE SILYLATIONS OF SUBSTRATES LSS, COASY, CYP51A1 CYP1A2 11/4885SIGMAR1 1642/4885ADH1B 1239/4885

“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.