SCHEMBL4388711

SCHEMBL4388711

CCC(C)C(=Cc1ccccc1F)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 4/20 0.46
CYP2C19 P33261 2/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HIF1A Q16665 1/20 0.46
TRPA1 O75762 1/20 0.42
GAA P10253 1/20 0.40
ALDH1A1 P00352 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
RAB9A P51151 2/20 0.39
NPC1 O15118 2/20 0.39
NFE2L2 Q16236 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
PKM P14618 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL16159950 0.74 CYP1A2 (0.54) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL3377299 0.74 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL3377294 0.74 CYP1A2 (0.50) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL149582 0.72 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL3402801 0.72 CYP1A2 (0.58) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL28504927 0.70 CYP1A2 (0.51) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL8324244 0.69 CYP1A2 (0.73) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL27715513 0.69 TRIM24 (0.41) TRPA1GAAALDH1A1SMN1; SMN2RAB9A
SCHEMBL9998103 0.69 TRPA1 (0.48) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A
SCHEMBL9998101 0.69 TRPA1 (0.48) CYP1A2CYP2C19CYP3A4CYP2C9HIF1A

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-7629372-B2 Compounds for the treatment of dyslipidemia and other lipid disorders MERCK & CO., INC. (US) 2009-12-08 US disclosed
US-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders MERCK & CO., INC. (US) 2008-02-14 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-20080039514-A1 Compounds for the Treatment of Dyslipidemia and Other Lipid Disorders LIPA, APOB, LCAT CYP1A2 731/4885CYP2C19 976/4885CYP3A4 818/4885

“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.