SCHEMBL4811211

SCHEMBL4811211

CCOC(=O)C1(CCC(C)C)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CHRM1 P11229 2/20 0.35
CHRM2 P08172 1/20 0.35
CHRM5 P08912 1/20 0.35
AKT1 P31749 10/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
CCR6 P51684 1/20 0.34
TP53 P04637 1/20 0.34

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
SCHEMBL4812432 0.94 TSHR (0.40) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4809784 0.92 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4810445 0.90 ADRB2 (0.38) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4809834 0.89 AKT1 (0.39) TSHRALDH1A1CHRM1AKT1SMN1; SMN2
SCHEMBL4807297 0.88 TSHR (0.40) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4817244 0.88 ALDH1A1 (0.40) ADRB2ADRB1ADRB3TSHRALDH1A1
SCHEMBL4810728 0.88 KCNH2 (0.39) CHRM1CHRM2AKT1SMN1; SMN2MAPT
SCHEMBL4809519 0.88 AKT1 (0.43) TSHRAKT1SMN1; SMN2MAPTLMNA
SCHEMBL4812533 0.87 AKT1 (0.47) TSHRALDH1A1AKT1LMNATP53
SCHEMBL4811292 0.86 TSHR (0.43) ADRB2ADRB1ADRB3TSHRALDH1A1

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.