SCHEMBL4815464

SCHEMBL4815464

CCCCC1(C(=O)OC)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
HTT P42858 1/20 0.40
TDP1 Q9NUW8 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
AKT1 P31749 10/20 0.37
MAPT P10636 2/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL4809571 0.97 AKT1 (0.41) ALDH1A1HTTTDP1SCN1ASCN2A
SCHEMBL4812437 0.96 AKT1 (0.42) ALDH1A1HTTTDP1SCN1ASCN2A
SCHEMBL4803641 0.93 TDP1 (0.41) ALDH1A1HTTTDP1SCN1ASCN2A
SCHEMBL4808554 0.92 AKT1 (0.45) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4814743 0.90 BCHE (0.41) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4817245 0.89 AKT1 (0.48) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4811141 0.88 AKT1 (0.38) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4816121 0.88 TDP1 (0.43) ALDH1A1HTTTDP1SCN1ASCN2A
SCHEMBL4815270 0.88 AKT1 (0.50) ALDH1A1HTTSCN1ASCN2ASCN3A
SCHEMBL4810061 0.87 SMN1; SMN2 (0.39) ALDH1A1MAPTPOLBL3MBTL1KMT2A

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 ALDH1A1 71/4885HTT 4302/4885TDP1 2566/4885

“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.