SCHEMBL4811538

SCHEMBL4811538

COC(=O)C1(C2CCCC2)CCCC1OC(=O)c1ccc(C)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.43
SCN1A P35498 1/20 0.42
SCN2A Q99250 1/20 0.42
SCN3A Q9NY46 1/20 0.42
MAPT P10636 4/20 0.40
KMT2A Q03164 2/20 0.40
MAPK1 P28482 1/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 2/20 0.39
CYP1A2 P05177 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
ALDH1A1 P00352 5/20 0.38
POLB P06746 2/20 0.38
TP53 P04637 1/20 0.38
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
USP2 O75604 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
SCHEMBL4814301 0.99 TDP1 (0.42) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4810710 0.89 PTPN2 (0.41) SCN1ASCN2ASCN3AMAPTKMT2A
SCHEMBL4815140 0.89 TSHR (0.41) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4813432 0.88 PTPN2 (0.40) SCN1ASCN2ASCN3AMAPTKMT2A
SCHEMBL4804786 0.88 LMNA (0.41) TDP1SCN1ASCN2ASCN3AKMT2A
SCHEMBL4806450 0.86 NPC1 (0.43) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4813475 0.85 ADRB2 (0.38) SCN1ASCN2ASCN3AMAPTKMT2A
SCHEMBL4805758 0.85 NPC1 (0.45) MAPTKMT2ASMN1; SMN2NPC1RAB9A
SCHEMBL4813217 0.84 ADRB2 (0.37) SCN1ASCN2ASCN3AMAPTKMT2A
SCHEMBL4812548 0.81 SCN1A (0.48) TDP1SCN1ASCN2ASCN3AMAPT

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.