SCHEMBL4809852

SCHEMBL4809852

CC(C)COC(=O)C1(Cc2ccccc2)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.38
CHRNA7 P36544 3/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ADRB2 P07550 1/20 0.37
ADRB1 P08588 1/20 0.37
ADRB3 P13945 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
HTR3A P46098 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
SCN1A P35498 1/20 0.37
SCN2A Q99250 1/20 0.37

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
SCHEMBL4812584 0.94 PLA2G1B (0.36) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL4812133 0.94 PLA2G1B (0.39) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4812200 0.91 RAB9A (0.41) ALDH1A1ADRB2ADRB1ADRB3LMNA
SCHEMBL4809671 0.89 CHRNA7 (0.40) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL4811693 0.89 KDM4E (0.37) ALDH1A1TSHR
SCHEMBL4807371 0.89 KDM4E (0.46) CHRNA7CHRNB2CHRNA5CHRNA4ALDH1A1
SCHEMBL4814589 0.89 TRPM8 (0.39) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL4812765 0.89 TRPM8 (0.39) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL4813296 0.88 ADRB2 (0.38) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4810904 0.88 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 TRPM8 4557/4885CHRNA7 870/4885CHRNB2 1604/4885

“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.