SCHEMBL4887628

SCHEMBL4887628

CCOC(=O)CCCc1ccc(CCl)s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.44
CYP4A11 Q02928 3/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2D6 P10635 2/20 0.43
CYP2C19 P33261 2/20 0.43
ALOX5 P09917 1/20 0.43
CYP2C9 P11712 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HPGD P15428 1/20 0.43
CYP4Z1 Q86W10 2/20 0.42
CYP4F11 Q9HBI6 1/20 0.42
CYP4F12 Q9HCS2 1/20 0.42
ALDH1A1 P00352 1/20 0.41
NR1I2 O75469 1/20 0.39
PGR P06401 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
PTGS2 P35354 1/20 0.39
PDE4D Q08499 1/20 0.39
TNF P01375 2/20 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
SCHEMBL14280335 0.88 CYP4F2 (0.47) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL963058 0.82 CYP4F2 (0.56) CYP4F2CYP4A11CYP1A2SMN1; SMN2HPGD
SCHEMBL16564364 0.81 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1GAA
SCHEMBL12057520 0.81 HPGD (0.51) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL12038475 0.78 HPGD (0.52) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6
SCHEMBL6665642 0.78 CYP4F2 (0.50) CYP4F2CYP4A11CYP1A2ALOX5HPGD
SCHEMBL14280336 0.78 CYP4F2 (0.51) CYP4F2CYP4A11CYP1A2SMN1; SMN2HPGD
SCHEMBL10597800 0.77 ALOX5 (0.57) CYP4F2CYP4A11ALOX5CYP4Z1ALDH1A1
SCHEMBL31176757 0.77 CYP4F2 (0.44) CYP4F2CYP4A11SMN1; SMN2HPGDCYP4Z1
SCHEMBL1417640 0.76 CYP4F2 (0.58) CYP4F2CYP4A11CYP1A2CYP3A4CYP2D6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-01-31 US disclosed
EP-1785421-A1 TROPAN COMPOUND ONO PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 EP 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-20080027094-A1 Tropane Compounds and Pharmaceutical Compositions Comprising the Same as an Active Ingredient CHRM1, CHRM3, CHRM2 CYP4F2 2082/4885CYP4A11 827/4885CYP1A2 358/4885

“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.