SCHEMBL4814955

SCHEMBL4814955

Cc1ccc(CC2(C(=O)OCC(C)C)CCCC2OC(=O)c2ccccc2C)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38
ADRB2 P07550 3/20 0.38
ADRB1 P08588 3/20 0.38
ADRB3 P13945 3/20 0.38
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 2/20 0.33
HTT P42858 1/20 0.33
ADAM17 P78536 1/20 0.33
BCHE P06276 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 2/20 0.32
ATM Q13315 2/20 0.32
GAA P10253 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
NPY1R P25929 1/20 0.32
NPY2R P49146 1/20 0.32
KMT2A Q03164 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL4810904 0.94 ALDH1A1 (0.40) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4809403 0.91 KDM4E (0.40) ALDH1A1TSHRSMN1; SMN2MAPTHTT
SCHEMBL4815587 0.89 MAPT (0.38) ADRB2ADRB1ADRB3MAPTHTT
SCHEMBL4812584 0.88 PLA2G1B (0.36) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4811292 0.88 TSHR (0.43) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4813296 0.87 ADRB2 (0.38) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4814483 0.87 TSHR (0.42) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4812133 0.86 PLA2G1B (0.39) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4812432 0.85 TSHR (0.40) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4817244 0.85 ALDH1A1 (0.40) ALDH1A1TSHRADRB2ADRB1ADRB3

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 ALDH1A1 71/4885TSHR 4305/4885ADRB2 1572/4885

“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.