SCHEMBL13250321

SCHEMBL13250321

CCc1ccc(CCC(=O)OC(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
CYP4Z1 Q86W10 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
F2RL1 P55085 1/20 0.39
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
FAAH O00519 1/20 0.38
PLK1 P53350 1/20 0.38
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38

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
SCHEMBL10982252 0.93 CYP4F2 (0.50) CYP4F2CYP4A11TDP1ALDH1A1HRH3
SCHEMBL1587126 0.86 MEN1 (0.45) CYP4F2CYP4A11TDP1ALDH1A1LMNA
SCHEMBL10399807 0.86 CYP4F2 (0.62) CYP4F2CYP4A11TDP1HRH3F2RL1
SCHEMBL7420345 0.86 CYP4F2 (0.49) CYP4F2CYP4A11TDP1ALDH1A1LMNA
SCHEMBL15608606 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1HRH3F2RL1
SCHEMBL9326099 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1ALDH1A1TAAR1
SCHEMBL7420342 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1ALDH1A1HRH3
SCHEMBL17066813 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1HRH3CYP4Z1
SCHEMBL9792904 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1ALDH1A1HRH3
SCHEMBL7322522 0.84 CYP4F2 (0.44) CYP4F2CYP4A11TDP1HRH3F2RL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2021-05-20 US disclosed
US-10450277-B2 Analogs of fexaramine and methods of making and using THE SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-10-22 US disclosed
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING SALK INSTITUTE FOR BIOLOGICAL STUDIES (US) 2019-03-21 US disclosed
US-20100189795-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS NEOCUTIS S.A. (CH) 2010-07-29 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 (4 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-20210147365-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 CYP4F2 124/4885CYP4A11 320/4885TDP1 4075/4885
US-10450277-B2 Analogs of fexaramine and methods of making and using FXR2, FXR1, SLC10A2 CYP4F2 124/4885CYP4A11 320/4885TDP1 4075/4885
US-20100189795-A1 CALCIUM SEQUESTRATION COMPOSITIONS AND METHODS OF TREATING SKIN PIGMENTATION DISORDERS AND CONDITIONS S100A4, TYR, CACYBP CYP4F2 4061/4885CYP4A11 3745/4885TDP1 2370/4885
US-20190084939-A1 ANALOGS OF FEXARAMINE AND METHODS OF MAKING AND USING FXR2, FXR1, SLC10A2 CYP4F2 124/4885CYP4A11 320/4885TDP1 4075/4885

“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.