SCHEMBL7204613

SCHEMBL7204613

CCOC(=O)C1COc2ccc(OC(C)=O)cc2O1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.46
CYP4A11 Q02928 1/20 0.46
MTNR1A P48039 1/20 0.45
TSHR P16473 4/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
GAA P10253 2/20 0.43
LMNA P02545 2/20 0.43
HTT P42858 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
POLB P06746 1/20 0.42
ALDH1A1 P00352 3/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL9254561 0.95 CYP4F2 (0.46) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL8121091 0.84 MTNR1A (0.45) MTNR1ATSHRL3MBTL1GAALMNA
SCHEMBL1519271 0.84 CYP4F2 (0.50) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL7203233 0.83 CYP4F2 (0.47) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL1519097 0.82 POLB (0.58) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL1519167 0.82 CYP4F2 (0.48) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL7488184 0.81 CYP4F2 (0.51) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL11465271 0.81 CYP4F2 (0.49) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL5336971 0.80 POLB (0.59) CYP4F2CYP4A11TSHRL3MBTL1GAA
SCHEMBL11477888 0.80 CYP1A2 (0.53) TSHRL3MBTL1GAALMNAHTT

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-6602903-B2 Substituted O- and/or S heterocyclic compounds; powerful ligands for melatoninergic receptors. LES LABORATORIES SERVIER (FR) 2003-08-05 US disclosed
US-20020052400-A1 Substituted heterocyclic compounds ADIR ET COMPAGNIE 2002-05-02 US disclosed
US-6313160-B1 FOR THERAPY AND PROPHYLAXIS OF MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-11-06 US disclosed
US-5439909-A 2-Substituted with amide or thioamide group; antioxidant for lipoproteins, antilipemic agents, anticholesterol agents ADIR ET COMPAGNIE (FR) 1995-08-08 US disclosed
US-5420132-A Antilipemic agents ADIR ET COMPAGNIE (FR) 1995-05-30 US 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-20020052400-A1 Substituted heterocyclic compounds MTNR1A, MTNR1B, CBR1 CYP4F2 389/4885CYP4A11 366/4885MTNR1A 1/4885

“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.