SCHEMBL4809879

SCHEMBL4809879

CCCCCC1(C(=O)OC)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.39
BCHE P06276 1/20 0.35
TSHR P16473 2/20 0.35
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
KCNA3 P22001 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 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
CHRM1 P11229 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

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
SCHEMBL4810136 0.99 AKT1 (0.41) AKT1BCHETSHRKCNA3ALDH1A1
SCHEMBL4803618 0.97 AKT1 (0.36) AKT1BCHEKCNA3NPC1RAB9A
SCHEMBL4812533 0.93 AKT1 (0.47) AKT1TSHRTP53CYP3A4MAPK1
SCHEMBL4807303 0.92 NPC1 (0.37) BCHECYP3A4KCNA3NPC1RAB9A
SCHEMBL4809288 0.92 AKT1 (0.48) AKT1TSHRTP53CYP3A4MAPK1
SCHEMBL4809519 0.89 AKT1 (0.43) AKT1TSHRLMNA
SCHEMBL4815599 0.89 AKT1 (0.41) AKT1TSHRTP53CYP3A4MAPK1
SCHEMBL4810121 0.89 NPC1 (0.39) BCHECYP3A4KCNA3NPC1RAB9A
SCHEMBL4812689 0.88 AKT1 (0.42) AKT1TSHRTP53CYP3A4MAPK1
SCHEMBL4803377 0.86 ALDH1A1 (0.39) AKT1TSHRCYP3A4ALDH1A1

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 1660/4885TSHR 4305/4885

“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.