SCHEMBL6580099

SCHEMBL6580099

CC(C)(Cc1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.57
CYP1A2 P05177 3/20 0.57
CYP2C9 P11712 3/20 0.57
SLC6A2 P23975 2/20 0.48
TAAR1 Q96RJ0 2/20 0.48
LMNA P02545 2/20 0.45
CYP2D6 P10635 1/20 0.45
KCNA5 P22460 1/20 0.44
TRPA1 O75762 1/20 0.44
CYP3A4 P08684 3/20 0.44
RECQL P46063 1/20 0.44
MAPK1 P28482 2/20 0.42
FDPS P14324 1/20 0.42
HIF1A Q16665 3/20 0.41
SMN1; SMN2 Q16637 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 2/20 0.39
ALOX15 P16050 1/20 0.39

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
SCHEMBL28374740 0.80 SLC6A2 (0.54) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL6552343 0.80 SLC6A2 (0.54) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL11211304 0.78 CYP2C19 (0.61) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL3583487 0.78 CYP2C19 (0.61) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL6048465 0.78 CYP2C19 (0.42) CYP2C19CYP1A2CYP2C9TAAR1LMNA
SCHEMBL6435187 0.77 CYP2C9 (0.59) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL1698269 0.76 SLC6A2 (0.67) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL16626128 0.75 TAAR1 (0.48) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL15380148 0.75 CYP2C19 (0.57) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1
SCHEMBL21353 0.75 SLC6A2 (0.58) CYP2C19CYP1A2CYP2C9SLC6A2TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these EIZAI CO., LTD (JP) 2004-11-25 US disclosed
EP-1413574-A1 PYRROLIDINE DERIVATIVES AND METHOD OF SYNTHESIZING THESE Eizai Co., Ltd. (JP) 2004-04-28 EP 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-20040236118-A1 Pyrrolidine derivatives and method of synthesizing these ADH1C, ADH5, ADH1A CYP2C19 1076/4885CYP1A2 317/4885CYP2C9 1214/4885

“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.