SCHEMBL4803618

SCHEMBL4803618

CCCCC1(C(=O)OC)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.36
BCHE P06276 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KCNA3 P22001 1/20 0.36
CHRM1 P11229 2/20 0.35
P2RX7 Q99572 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
HTR1A P08908 1/20 0.35
CHRM5 P08912 1/20 0.35
ADRA2A P08913 1/20 0.35
DRD2 P14416 1/20 0.35
ADRA2B P18089 1/20 0.35
CHRM3 P20309 1/20 0.35
DRD4 P21917 1/20 0.35
ADRA1D P25100 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35
ADRA1B P35368 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
SCHEMBL4809879 0.97 AKT1 (0.39) AKT1BCHENPC1RAB9AKCNA3
SCHEMBL4810136 0.96 AKT1 (0.41) AKT1BCHEKCNA3
SCHEMBL4807303 0.93 NPC1 (0.37) BCHENPC1RAB9AKCNA3CHRM1
SCHEMBL4809519 0.93 AKT1 (0.43) AKT1
SCHEMBL4810121 0.90 NPC1 (0.39) BCHENPC1RAB9AKCNA3CHRM1
SCHEMBL4812533 0.89 AKT1 (0.47) AKT1
SCHEMBL4803377 0.89 ALDH1A1 (0.39) AKT1ADRB2ADRB1ADRB3
SCHEMBL4809288 0.89 AKT1 (0.48) AKT1
SCHEMBL4810365 0.86 BCHE (0.41) BCHEKCNA3
SCHEMBL4809784 0.86 ADRB2 (0.38) BCHENPC1RAB9AKCNA3CHRM1

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 AKT1 1995/4885BCHE 1660/4885NPC1 1423/4885

“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.