SCHEMBL4813432

SCHEMBL4813432

CCOC(=O)C1(C2CCCCC2)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 1/20 0.40
PTPN1 P18031 1/20 0.40
CDC25B P30305 1/20 0.40
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
MAPT P10636 3/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.37
KMT2A Q03164 2/20 0.37
POLB P06746 2/20 0.36
HTT P42858 2/20 0.36
OPRM1 P35372 1/20 0.36
CCR1 P32246 1/20 0.36
CYP1A2 P05177 1/20 0.36
HPGD P15428 1/20 0.36
CYP2C19 P33261 1/20 0.36
SMN1; SMN2 Q16637 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
SCHEMBL4810710 0.99 PTPN2 (0.41) PTPN2PTPN1CDC25BALDH1A1MAPK1
SCHEMBL4809779 0.91 SMN1; SMN2 (0.40) PTPN2PTPN1CDC25BSCN1ASCN2A
SCHEMBL4806177 0.90 SMN1; SMN2 (0.41) PTPN2PTPN1CDC25BMAPTKMT2A
SCHEMBL4814301 0.90 TDP1 (0.42) ALDH1A1MAPK1SCN1ASCN2ASCN3A
SCHEMBL4813217 0.89 ADRB2 (0.37) PTPN2PTPN1CDC25BALDH1A1MAPK1
SCHEMBL4811538 0.88 TDP1 (0.43) ALDH1A1MAPK1SCN1ASCN2ASCN3A
SCHEMBL4813475 0.88 ADRB2 (0.38) PTPN2PTPN1CDC25BALDH1A1MAPK1
SCHEMBL4804183 0.87 NPC1 (0.42) ALDH1A1MAPK1RAB9ANPC1KMT2A
SCHEMBL4813857 0.86 NPC1 (0.40) ALDH1A1MAPK1MAPTRAB9ANPC1
SCHEMBL4809562 0.82 NPC1 (0.38) ALDH1A1MAPTRAB9ANPC1KMT2A

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 PTPN2 3885/4885PTPN1 3877/4885CDC25B 1406/4885

“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.