SCHEMBL4863606

SCHEMBL4863606

COC(OC)C1(C)Oc2ccc([N+](=O)[O-])cc2C2OC21

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 2/20 0.37
HTT P42858 3/20 0.35
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 3/20 0.35
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
EPHX1 P07099 1/20 0.33
NR3C1 P04150 1/20 0.33
PGR P06401 1/20 0.33
AR P10275 1/20 0.33
PKM P14618 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 2/20 0.32
TLR3 O15455 1/20 0.32
GAA P10253 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
SCHEMBL6985601 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2472077 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL5275472 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2475336 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL6985781 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2471965 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL2473015 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL7684277 1.00 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4869775 0.87 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT
SCHEMBL4869825 0.87 AKR1B1 (0.37) AKR1B1HTTLMNASMN1; SMN2MAPT

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 5 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
EP-0514935-B1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RES INST CHEM TECH (KR) 1995-11-08 EP disclosed
US-5236935-A Hypotensive agents KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1993-08-17 US disclosed
EP-0514935-A1 Novel benzopyran derivatives and processes for the preparation thereof KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 1992-11-25 EP 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 3610/4885HTT 1475/4885LMNA 4250/4885

“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.