SCHEMBL4814920

SCHEMBL4814920

COC(=O)C1(c2ccc(C)cc2)CCCC1OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.42
ADAM17 P78536 1/20 0.37
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
PKM P14618 1/20 0.36
CYP2C19 P33261 1/20 0.36
KDM4E B2RXH2 1/20 0.33
HPGD P15428 1/20 0.33
OPRM1 P35372 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 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
SCHEMBL4809674 0.88 OPRM1 (0.44) HTR2CADAM17OPRM1
SCHEMBL4813860 0.88 MEN1 (0.42) HTR2C
SCHEMBL6060415 0.88 HTR2C (0.36) HTR2CCYP3A4CYP2C19OPRM1ALDH1A1
SCHEMBL4815711 0.87 TDP1 (0.44) HTR2CADAM17CYP2C19KDM4EHPGD
SCHEMBL4808679 0.84 HTR2C (0.36) HTR2COPRM1ALDH1A1MAPTSMN1; SMN2
SCHEMBL4813911 0.84 HTR2C (0.46) HTR2C
SCHEMBL4812586 0.82 HTR2C (0.42) HTR2CADAM17ALDH1A1MAPT
SCHEMBL4808284 0.81 HTR2C (0.46) HTR2CADAM17CYP3A4CYP2C9CYP2C19
SCHEMBL4815646 0.81 SMN1; SMN2 (0.41) HTR2CADAM17ALDH1A1MAPTSMN1; SMN2
SCHEMBL27635050 0.79 HTR2C (0.47) HTR2CADAM17CYP2C9CYP2C19

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 HTR2C 3278/4885ADAM17 2714/4885CYP3A4 86/4885

“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.