SCHEMBL10019014

SCHEMBL10019014

CCCCCCCCOCCCCCCCCCC1CO1

nearest known ligand 0.76

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.76
TDP1 Q9NUW8 1/20 0.69
EPHX1 P07099 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.57
SPHK2 Q9NRA0 2/20 0.55
SPHK1 Q9NYA1 2/20 0.55
TSHR P16473 1/20 0.48
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
THRB P10828 1/20 0.45
HTT P42858 1/20 0.45
MAPT P10636 1/20 0.45
CYP1A2 P05177 2/20 0.44
ENPP2 Q13822 1/20 0.40
LPAR2 Q9HBW0 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
SCHEMBL11358651 1.00 ALDH1A1 (0.76) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL3619774 1.00 ALDH1A1 (0.76) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL11341291 1.00 ALDH1A1 (0.76) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL11350272 1.00 ALDH1A1 (0.76) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL24542207 0.96 ALDH1A1 (0.69) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL3624594 0.96 ALDH1A1 (0.69) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL3613710 0.96 ALDH1A1 (0.69) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL12273970 0.96 ALDH1A1 (0.69) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL3622865 0.94 ALDH1A1 (0.65) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2
SCHEMBL15508203 0.94 ALDH1A1 (0.65) ALDH1A1TDP1EPHX1SMN1; SMN2SPHK2

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-8357300-B2 Methods and materials for selective boron adsorption from aqueous solution HYDRANAUTICS (US) 2013-01-22 US disclosed
US-20120037565-A1 Methods and Materials for Selective Boron Adsorption from Aqueous Solution HYDRANAUTICS (US) 2012-02-16 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-20120037565-A1 Methods and Materials for Selective Boron Adsorption from Aqueous Solution BDKRB1, HBB, SLC2A1 ALDH1A1 3277/4885TDP1 3389/4885EPHX1 2676/4885

“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.