SCHEMBL4909292

SCHEMBL4909292

CC(C)(C)c1ccc(OCC(=O)O)c(Cc2cc(C(C)(C)C)ccc2OCC(=O)O)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.68
SMN1; SMN2 Q16637 2/20 0.57
PTGDR2 Q9Y5Y4 4/20 0.52
ELANE P08246 6/20 0.48
CD69 Q07108 1/20 0.48
MAPT P10636 1/20 0.48
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
F2 P00734 1/20 0.46
FFAR1 O14842 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
PPARG P37231 1/20 0.45
PPARD Q03181 1/20 0.45
PPARA Q07869 1/20 0.45
CTSG P08311 1/20 0.44
MEN1 O00255 1/20 0.44
NPC1 O15118 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44

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
SCHEMBL13872664 0.86 CYP2C19 (0.53) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL13757719 0.85 CYP2C19 (0.74) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL17896571 0.84 CYP2C19 (0.72) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL13872735 0.83 CYP2C19 (0.50) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL5284414 0.83 PTGDR2 (0.70) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL14076372 0.81 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL13624055 0.81 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL5321878 0.81 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL4642505 0.81 CYP2C19 (1.00) CYP2C19SMN1; SMN2PTGDR2ELANECD69
SCHEMBL5320268 0.81 CYP2C19 (0.68) CYP2C19SMN1; SMN2PTGDR2ELANECD69

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-20080312322-A1 Organic Compounds NOVARTIS AG (CH) 2008-12-18 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-20080312322-A1 Organic Compounds NR3C2, MRGPRX2, HRH2 CYP2C19 1491/4885SMN1; SMN2 2760/4885PTGDR2 49/4885

“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.