Sugi Predict

Sugi Predict / Compounds / SCHEMBL4812893

SCHEMBL4812893

SCHEMBL4812893

CC(C)CCC1(C(=O)OCC(C)C)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.38
▸ ALDH1A1 P00352 3/20 0.37
▸ CHRNA7 P36544 2/20 0.37
▸ CHRNB2 P17787 1/20 0.37
▸ CHRNA5 P30532 1/20 0.37
▸ CHRNA4 P43681 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
▸ CHRM2 P08172 2/20 0.37
▸ CHRM4 P08173 2/20 0.37
▸ CHRM1 P11229 2/20 0.37
▸ CHRM3 P20309 2/20 0.37
▸ LMNA P02545 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
SCHEMBL4810728 0.93 KCNH2 (0.39) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4
SCHEMBL4812136 0.91 TRPM8 (0.38) TRPM8ALDH1A1CHRNA7CHRNB2CHRNA5
SCHEMBL4809759 0.91 SCN1A (0.40) TRPM8CHRNA7TSHRHTR3EHTR3B
SCHEMBL4812845 0.90 ADRB2 (0.38) ALDH1A1TSHRADRB2ADRB1ADRB3
SCHEMBL4806167 0.89 AKT1 (0.37) TRPM8ALDH1A1CHRNA7CHRNB2CHRNA5
SCHEMBL4809671 0.89 CHRNA7 (0.40) TRPM8ALDH1A1CHRNA7CHRNB2CHRNA5
SCHEMBL4812765 0.89 TRPM8 (0.39) TRPM8ALDH1A1CHRNA7CHRNB2CHRNA5
SCHEMBL4814589 0.89 TRPM8 (0.39) TRPM8ALDH1A1CHRNA7CHRNB2CHRNA5
SCHEMBL4816351 0.89 ADRB2 (0.41) ALDH1A1CHRNB2CHRNA4ADRB2ADRB1
SCHEMBL6060098 0.89 CHRNA7 (0.40) TRPM8CHRNA7CHRNB2CHRNA5CHRNA4

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 5 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
CN-100338018-C Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2007-09-19 — — CN 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
CN-1765871-A Cyclopentyl ester analog compound and its synthesis method and uses CHINA PETROLEUM & CHEMICAL (CN) 2006-05-03 — — CN 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 4557/4885ALDH1A1 71/4885CHRNA7 870/4885

“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.