SCHEMBL8232913

SCHEMBL8232913

CCOC(=O)CC(C(=O)OCC)P(=O)(O)CCBr

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.50
TSHR P16473 2/20 0.50
ALOX15 P16050 3/20 0.43
CYP3A4 P08684 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPA1 O75762 1/20 0.42
CHRM1 P11229 1/20 0.39
ADORA1 P30542 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MGAM O43451 1/20 0.36
GAA P10253 1/20 0.36
SI P14410 1/20 0.36
MGAM2 Q2M2H8 1/20 0.36
POLB P06746 3/20 0.35
CYP2D6 P10635 2/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
CA12 O43570 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
SCHEMBL8232912 0.83 ALDH1A1 (0.47) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL17280333 0.80 ALDH1A1 (0.57) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL9461450 0.77 ALDH1A1 (0.54) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL11690303 0.76 ALDH1A1 (0.53) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL11318600 0.74 ALDH1A1 (0.54) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL4099444 0.72 GCLC (0.43) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL9359820 0.71 ALDH1A1 (0.51) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL8238419 0.70 ALDH1A1 (0.47) ALDH1A1TSHRALOX15TRPA1MGAM
SCHEMBL9651238 0.70 ALDH1A1 (0.50) ALDH1A1TSHRALOX15CYP3A4TDP1
SCHEMBL30459970 0.69 ALDH1A1 (0.49) ALDH1A1TSHRALOX15CYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
US-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (C.N.R.S.) (FR) 2009-07-02 US disclosed
WO-2007052169-A2 HYPOPHOSPHOROUS ACID DERIVATIVES AND THEIR THERAPEUTICAL APPLICATIONS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2007-05-10 WO 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-20090170813-A1 Hypophosphorous Acid Derivatives and their Therapeutical Applications P4HA1, CYP2R1, EGLN3 ALDH1A1 2089/4885TSHR 49/4885ALOX15 1960/4885

“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.