SCHEMBL12676992

SCHEMBL12676992

COc1cnc(C)c(O)c1CO

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.59
▸ ALDH1A1 P00352 4/20 0.59
▸ HPGD P15428 2/20 0.59
▸ HSD17B10 Q99714 1/20 0.59
▸ LMNA P02545 3/20 0.50
▸ GFER P55789 1/20 0.44
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PDXK O00764 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AOX1 Q06278 1/20 0.41
▸ GAA P10253 2/20 0.40
▸ MAPT P10636 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TRIM24 O15164 1/20 0.40
▸ TRIM33 Q9UPN9 1/20 0.40
▸ SMPD3 Q9NY59 1/20 0.36

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
SCHEMBL16406420 0.84 KDM4E (0.44) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12677316 0.84 LMNA (0.57) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL20594900 0.80 KDM4E (0.41) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL12677154 0.76 CYP3A4 (0.40) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL10943402 0.76 KDM4E (0.68) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4577077 0.76 KDM4E (0.49) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL8155229 0.75 KDM4E (0.71) KDM4EALDH1A1HPGDHSD17B10LMNA
SCHEMBL4576389 0.75 KDM4E (0.47) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL3506 0.75 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA
Pyridoxine SCHEMBL30877002 0.75 HPGD (1.00) KDM4EALDH1A1HPGDHSD17B10LMNA

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
US-20160199362-A1 METHOD FOR THE TREATMENT, ALLEVIATION OF SYMPTOMS OF, RELIEVING, IMPROVING AND PREVENTING A COGNITIVE DISEASE, DISORDER OR CONDITION ALCOBRA LTD. (IL) 2016-07-14 — — US disclosed
WO-2011061743-A1 METADOXINE AND DERIVATIVES THEREOF FOR USE IN THE TREATMENT OF INFLAMMATION AND IMMUNE-RELATED DISORDERS ALCOBRA LTD. (IL) 2011-05-26 — — WO disclosed
WO-2010150261-A1 A METHOD FOR THE TREATMENT, ALLEVIATION OF SYMPTOMS OF, RELIEVING, IMPROVING AND PREVENTING A COGNITIVE DISEASE, DISORDER OR CONDITION ALCOBRA LTD. (IL) 2010-12-29 — — WO disclosed
WO-2010013242-A1 SUBSTITUTED PYRIDOXINE-LACTAM CARBOXYLATE SALTS ALCOBRA LTD. (IL) 2010-02-04 — — 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-20160199362-A1 METHOD FOR THE TREATMENT, ALLEVIATION OF SYMPTOMS OF, RELIEVING, IMPROVING AND PREVENTING A COGNITIVE DISEASE, DISORDER OR CONDITION ACHE, BCHE, GRIK5 KDM4E 1328/4885ALDH1A1 886/4885HPGD 131/4885

“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.

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