SCHEMBL6050812

SCHEMBL6050812

CCC[CH]CCCCCCC1CO1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.63
EPHX1 P07099 1/20 0.44
TDP1 Q9NUW8 1/20 0.36
ENPP2 Q13822 10/20 0.35
LPAR2 Q9HBW0 7/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 2/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 1/20 0.33
PRKD1 Q15139 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
SCHEMBL8671828 0.85 ALDH1A1 (0.50) ALDH1A1EPHX1TDP1
SCHEMBL5609230 0.85 EPHX1 (0.66) ALDH1A1EPHX1TDP1CYP1A2
SCHEMBL459853 0.85 EPHX1 (0.66) ALDH1A1EPHX1TDP1CYP1A2
SCHEMBL28705358 0.84 ALDH1A1 (0.63) ALDH1A1EPHX1ENPP2LPAR2
SCHEMBL1152089 0.83 ALDH1A1 (0.56) ALDH1A1EPHX1TDP1ENPP2LPAR2
SCHEMBL27487811 0.83
SCHEMBL18327140 0.80 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2
SCHEMBL30958398 0.80 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2
SCHEMBL18327147 0.80 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2
SCHEMBL5839131 0.80 ALDH1A1 (0.76) ALDH1A1EPHX1ENPP2LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1636232-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-03-22 EP disclosed
WO-2004104005-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2004-12-02 WO disclosed
EP-1479682-A1 Immunosuppressive effects of pteridine derivatives 4 AZA Bioscience nv (BE) 2004-11-24 EP disclosed
US-20030236255-A1 Immunosuppressive effects of pteridine derivatives 4 AZA BIOSCIENCE NV (BE) 2003-12-25 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-20030236255-A1 Immunosuppressive effects of pteridine derivatives TPMT, FKBP5, RRP15 ALDH1A1 1744/4885EPHX1 4578/4885TDP1 316/4885

“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.