SCHEMBL2293768

SCHEMBL2293768

CCOc1ccc(Br)c(COc2c(C)cccc2C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.39
CYP3A4 P08684 2/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
NQO1 P15559 1/20 0.37
ATM Q13315 1/20 0.37
ALDH1A1 P00352 4/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GAA P10253 1/20 0.36
ALOX12 P18054 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
POLB P06746 1/20 0.35
SCN4A P35499 3/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL2294114 0.87 SCN8A (0.43) THRATHRBALDH1A1MAPTLMNA
SCHEMBL2294391 0.83 THRA (0.35) TP53CYP3A4THRATHRBATM
SCHEMBL2290427 0.83 THRA (0.41) THRATHRBALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL2289827 0.83 THRA (0.39) CYP3A4THRATHRBATMALDH1A1
SCHEMBL2290093 0.82 FFAR1 (0.42) THRATHRBALDH1A1HPGDSMN1; SMN2
SCHEMBL2295413 0.82 SCN8A (0.41) THRATHRBALDH1A1MAPTLMNA
SCHEMBL2294687 0.82 SCN8A (0.46) CYP3A4THRATHRBCYP1A2SLC6A4
SCHEMBL2295483 0.82 LMNA (0.45) CYP3A4THRATHRBATMALDH1A1
SCHEMBL2290297 0.81 THRA (0.40) CYP3A4THRATHRBALDH1A1MAPT
Benzene SCHEMBL2294675 0.81 THRA (0.45) CYP3A4THRATHRBATMALDH1A1

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
EP-2149545-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2016-10-05 EP disclosed
US-7994367-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-08-09 US disclosed
US-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-08-19 US disclosed
EP-2149545-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-03 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-20100210879-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, C9, TRPA1 TP53 2194/4885CYP3A4 168/4885THRA 3834/4885

“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.