SCHEMBL3199283

SCHEMBL3199283

CCCCCC1COC(c2ccoc2)O1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
EPHX1 P07099 1/20 0.37
ENPP2 Q13822 3/20 0.34
LPAR2 Q9HBW0 1/20 0.33
GRM2 Q14416 3/20 0.32
CYP1A2 P05177 2/20 0.32
PRKD3 O94806 1/20 0.32
PRKCG P05129 1/20 0.32
PRKCB P05771 1/20 0.32
PRKCA P17252 1/20 0.32
PRKCH P24723 1/20 0.32
PRKCI P41743 1/20 0.32
PRKCE Q02156 1/20 0.32
PRKCQ Q04759 1/20 0.32
PRKCZ Q05513 1/20 0.32
PRKCD Q05655 1/20 0.32
PRKD1 Q15139 1/20 0.32

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
SCHEMBL3702143 0.81 ALDH1A1 (0.50) ALDH1A1GRM2
SCHEMBL11087719 0.79 ALDH1A1 (0.53) ALDH1A1EPHX1GRM2
SCHEMBL11086638 0.79 ALDH1A1 (0.53) ALDH1A1EPHX1GRM2
SCHEMBL7978011 0.76 GRM2 (0.44) ALDH1A1GRM2
SCHEMBL13030118 0.75 GRM2 (0.51) ALDH1A1EPHX1ENPP2GRM2PRKD3
SCHEMBL12552728 0.71 GRM2 (0.44) ALDH1A1GRM2
SCHEMBL11075476 0.70 POLB (0.56) ALDH1A1GRM2
SCHEMBL11075475 0.70 POLB (0.56) ALDH1A1GRM2
SCHEMBL13381209 0.69 ADRA1A (0.46) ALDH1A1
SCHEMBL5605198 0.68

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-7795255-B2 Rigidified compounds for modulating heparanase activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2010-09-14 US disclosed
US-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity INSIGHT BIOPHARMACEUTICALS LTD. (IL) 2008-02-14 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-20080039456-A1 Rigidified Compounds for Modulating Heparanase Activity HPSE, HEXA, GAA ALDH1A1 2428/4885EPHX1 1235/4885ENPP2 632/4885

“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.