SCHEMBL4869899

SCHEMBL4869899

CCOC(OCC)[C@]1(C)Oc2ccc([N+](=O)[O-])cc2[C@H]2O[C@H]21

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
ATM Q13315 1/20 0.35
CACNA1C Q13936 8/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CACNA1F O60840 5/20 0.33
CACNA1D Q01668 5/20 0.33
CACNA1S Q13698 5/20 0.33
FFAR1 O14842 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
TLR3 O15455 2/20 0.32
KMT2A Q03164 2/20 0.32
ALDH1A1 P00352 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.32
TDP1 Q9NUW8 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
SCHEMBL4869775 1.00 AKR1B1 (0.37) AKR1B1ATMCACNA1CMAPTLMNA
SCHEMBL4869825 1.00 AKR1B1 (0.37) AKR1B1ATMCACNA1CMAPTLMNA
SCHEMBL4869785 1.00 AKR1B1 (0.37) AKR1B1ATMCACNA1CMAPTLMNA
SCHEMBL4871424 1.00 AKR1B1 (0.37) AKR1B1ATMCACNA1CMAPTLMNA
SCHEMBL2471965 0.87 AKR1B1 (0.37) AKR1B1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6985781 0.87 AKR1B1 (0.37) AKR1B1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2472077 0.87 AKR1B1 (0.37) AKR1B1MAPTLMNAHTTSMN1; SMN2
SCHEMBL6985601 0.87 AKR1B1 (0.37) AKR1B1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2473015 0.87 AKR1B1 (0.37) AKR1B1MAPTLMNAHTTSMN1; SMN2
SCHEMBL2475336 0.87 AKR1B1 (0.37) AKR1B1MAPTLMNAHTTSMN1; SMN2

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-7420060-B2 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containing them SCHAEFFLER KG (DE) 2008-09-02 US disclosed
US-20070093481-A1 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containingthem DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2007-04-26 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-20070093481-A1 Benzopyran derivatives substituted with a thioxobenzoxazole derivative, pharmaceutically acceptable salts thereof, their preparations and pharmaceutical compositions containingthem TNNT2, TNNI3, BRIX1 AKR1B1 3610/4885ATM 2499/4885CACNA1C 2598/4885

“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.