SCHEMBL4849803

SCHEMBL4849803

COC(OC)[C@]1(C)Oc2ccc(OS(C)(=O)=O)cc2[C@@H]2O[C@@H]21

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNE1 P15382 8/20 0.33
KCNQ1 P51787 8/20 0.33
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 1/20 0.33
CA2 P00918 2/20 0.33
CA5A P35218 2/20 0.33
DRD3 P35462 1/20 0.33
HPGD P15428 1/20 0.32
KCNH2 Q12809 1/20 0.31
MAPT P10636 3/20 0.30
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
LMNA P02545 2/20 0.30
PSMD14 O00487 1/20 0.30
POLB P06746 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30
PLIN1 O60240 1/20 0.30
USP2 O75604 1/20 0.30

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
SCHEMBL7951973 0.81 KCNE1 (0.36) KCNE1KCNQ1ALDH1A1KDM4EGAA
SCHEMBL4848406 0.78 HTR2A (0.32) DRD3MEN1KMT2APOLB
SCHEMBL4020277 0.78 HTR2A (0.32) DRD3MEN1KMT2APOLB
SCHEMBL2472077 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL2473015 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL6985601 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL2475336 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL7684277 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL2471965 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA
SCHEMBL6985781 0.76 AKR1B1 (0.37) ALDH1A1GAAMAPTKMT2ALMNA

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-7414068-B2 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2008-08-19 US disclosed
US-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2006-02-16 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-20060035948-A1 Benzopyran derivatives substituted with secondary amines including tetrazole, method for the preparation thereof and pharmaceutical compositions containing them TH, TNNI3, NOS3 KCNE1 2241/4885KCNQ1 2274/4885ALDH1A1 430/4885

“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.