SCHEMBL4811054

SCHEMBL4811054

COC(=O)C1(CCC(C)C)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.38
SCN1A P35498 1/20 0.38
SCN2A Q99250 1/20 0.38
SCN3A Q9NY46 1/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
MAPK1 P28482 1/20 0.34
RAB9A P51151 2/20 0.33
EPHX1 P07099 1/20 0.33
LGALS9 O00182 1/20 0.33

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
SCHEMBL4812845 0.91 ADRB2 (0.38) TDP1SCN1ASCN2ASCN3AADRB2
SCHEMBL4813285 0.91 PTPN2 (0.39) SCN1ASCN2ASCN3AADRB2ADRB1
SCHEMBL4809759 0.90 SCN1A (0.40) SCN1ASCN2ASCN3AMAPTSLC6A2
SCHEMBL4810523 0.89 TDP1 (0.40) TDP1SCN1ASCN2ASCN3AADRB2
SCHEMBL4803641 0.87 TDP1 (0.41) TDP1SCN1ASCN2ASCN3AADRB2
SCHEMBL4812871 0.87 ADRB2 (0.40) ADRB2ADRB1ADRB3KMT2AMEN1
SCHEMBL4815464 0.85 ALDH1A1 (0.40) TDP1SCN1ASCN2ASCN3AKMT2A
SCHEMBL4816121 0.85 TDP1 (0.43) TDP1SCN1ASCN2ASCN3AADRB2
SCHEMBL4809571 0.84 AKT1 (0.41) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL4812437 0.83 AKT1 (0.42) TDP1SCN1ASCN2ASCN3AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7388103-B2 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2008-06-17 US disclosed
US-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 US disclosed
WO-2006045246-A1 CYCLOPENTANE CARBOXYLATE COMPOUNDS, PROCESS AND INTERMEDIATES FOR PREPARING THE SAME AND USE THEREOF CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2006-05-04 WO 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-20060094843-A1 Cyclopentane carboxylate compounds, process and intermediates for preparing the same and use thereof C5, C1S, AKR1C3 TDP1 2566/4885SCN1A 4258/4885SCN2A 4482/4885

“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.