SCHEMBL4806769

SCHEMBL4806769

Cc1ccccc1C(=O)OC1CCCC1(C(=O)OCC(C)C)C1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.40
ALDH1A1 P00352 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TP53 P04637 3/20 0.35
MAPT P10636 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
ATM Q13315 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CACNA1F O60840 1/20 0.33
CACNA1D Q01668 1/20 0.33

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
SCHEMBL4812721 0.99 TSHR (0.40) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4809562 0.90 NPC1 (0.38) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4811155 0.89 TSHR (0.38) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4813889 0.87 LMNA (0.41) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4812400 0.86 NPC1 (0.43) ALDH1A1NPC1RAB9AMAPTMEN1
SCHEMBL4809078 0.85 LMNA (0.39) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4812623 0.85 TSHR (0.43) TSHRALDH1A1ADRB2ADRB1ADRB3
SCHEMBL4811528 0.85 NPC1 (0.41) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL4813217 0.84 ADRB2 (0.37) ALDH1A1ADRB2ADRB1ADRB3NPC1
SCHEMBL4811292 0.83 TSHR (0.43) TSHRALDH1A1ADRB2ADRB1ADRB3

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 TSHR 4305/4885ALDH1A1 71/4885ADRB2 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.