SCHEMBL4811022

SCHEMBL4811022

COC(=O)C1(c2ccccc2)CCCC1OC(=O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
CHRNA7 P36544 1/20 0.43
TSHR P16473 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
GAA P10253 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTT P42858 1/20 0.40
HTR2C P28335 1/20 0.39

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
SCHEMBL4813911 0.93 HTR2C (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4808284 0.93 HTR2C (0.46) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4813933 0.90 NPC1 (0.41) HTR2C
SCHEMBL4813860 0.86 MEN1 (0.42) MEN1KMT2ASIGMAR1HTTHTR2C
SCHEMBL4815711 0.86 TDP1 (0.44) MEN1KMT2AGAAHTR2C
SCHEMBL4814183 0.85 HTR2C (0.39) MEN1KMT2ASIGMAR1HTR2C
SCHEMBL4812372 0.85 CHRNA7 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL10481760 0.84 AKR1C1 (0.41) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL4813759 0.82 SLC22A1 (0.46) MEN1KMT2AHTR2C
SCHEMBL4815215 0.82 SLC22A1 (0.43) MEN1KMT2AHTR2C

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 HTR3E 4093/4885HTR3B 3839/4885HTR3A 3238/4885

“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.