SCHEMBL4812871

SCHEMBL4812871

COC(=O)C1(CCC(C)C)CCCC1OC(=O)c1cccc(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.40
ADRB1 P08588 3/20 0.40
ADRB3 P13945 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RAB9A P51151 5/20 0.37
NPC1 O15118 4/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
CTNNB1 P35222 1/20 0.37
WNT3A P56704 1/20 0.37
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
KMT2A Q03164 1/20 0.35
GRM5 P41594 1/20 0.35
TAS1R3 Q7RTX0 1/20 0.35
TAS1R1 Q7RTX1 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
SCHEMBL4816351 0.92 ADRB2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4813082 0.92 ADRB2 (0.39) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4811802 0.90 ADRB2 (0.42) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4805258 0.89 SMN1; SMN2 (0.41) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4809759 0.88 SCN1A (0.40) MAPTLMNA
SCHEMBL4811054 0.87 TDP1 (0.38) ADRB2ADRB1ADRB3SMN1; SMN2RAB9A
SCHEMBL4810061 0.87 SMN1; SMN2 (0.39) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4815578 0.86 SMN1; SMN2 (0.42) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4812360 0.86 SMN1; SMN2 (0.39) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1
SCHEMBL4804307 0.85 AKT1 (0.40) ADRB2ADRB1ADRB3SMN1; SMN2NPSR1

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 ADRB2 1572/4885ADRB1 1538/4885ADRB3 1177/4885

“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.