SCHEMBL4812689

SCHEMBL4812689

CCCCCCC1(C(=O)OCC(C)C)CCCC1OC(=O)c1ccccc1C

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 10/20 0.42
TSHR P16473 3/20 0.38
ALDH1A1 P00352 3/20 0.38
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPK1 P28482 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
SCHEMBL4815599 0.99 AKT1 (0.41) AKT1TSHRALDH1A1ADRB2ADRB1
SCHEMBL4803377 0.96 ALDH1A1 (0.39) AKT1TSHRALDH1A1ADRB2ADRB1
SCHEMBL4809288 0.92 AKT1 (0.48) AKT1TSHRALDH1A1LMNATP53
SCHEMBL4817244 0.92 ALDH1A1 (0.40) AKT1TSHRALDH1A1ADRB2ADRB1
SCHEMBL4812533 0.91 AKT1 (0.47) AKT1TSHRALDH1A1LMNATP53
SCHEMBL4810136 0.89 AKT1 (0.41) AKT1TSHRALDH1A1LMNA
SCHEMBL4811292 0.89 TSHR (0.43) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4812432 0.88 TSHR (0.40) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4809519 0.88 AKT1 (0.43) AKT1TSHRLMNA
SCHEMBL4809879 0.88 AKT1 (0.39) AKT1TSHRALDH1A1LMNATP53

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 1995/4885TSHR 4305/4885ALDH1A1 71/4885

“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.