SCHEMBL4816121

SCHEMBL4816121

CCC1(C(=O)OC)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 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 2/20 0.38
MAPK1 P28482 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
CDC25B P30305 1/20 0.37
RAB9A P51151 3/20 0.36
NPC1 O15118 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
GAA P10253 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
SCHEMBL4811180 0.91 PTPN2 (0.42) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4803641 0.90 TDP1 (0.41) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4816473 0.89 TSHR (0.41) SCN1ASCN2ASCN3AKMT2ACYP1A2
SCHEMBL4815464 0.88 ALDH1A1 (0.40) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4811198 0.88 TDP1 (0.41) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4809571 0.87 AKT1 (0.41) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL4810949 0.87 ADRB2 (0.39) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4810523 0.87 TDP1 (0.40) TDP1SCN1ASCN2ASCN3AMAPT
SCHEMBL4812437 0.86 AKT1 (0.42) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL4815578 0.86 SMN1; SMN2 (0.42) MAPTALDH1A1POLBKMT2ARAB9A

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.