SCHEMBL2290430

SCHEMBL2290430

COCc1ccc(Br)c(COc2c(C)cccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.40
THRB P10828 2/20 0.40
FFAR4 Q5NUL3 2/20 0.38
SCN8A Q9UQD0 4/20 0.36
ALDH1A1 P00352 2/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SCN4A P35499 5/20 0.35
LMNA P02545 2/20 0.35
SCN1A P35498 2/20 0.35
SCN5A Q14524 2/20 0.35
SCN9A Q15858 2/20 0.35
KCNH2 Q12809 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 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
SCHEMBL2290297 0.87 THRA (0.40) THRATHRBFFAR4SCN8AALDH1A1
SCHEMBL2293554 0.83 THRA (0.39) THRATHRBFFAR4SCN8AALDH1A1
SCHEMBL2293620 0.83 THRA (0.39) THRATHRBFFAR4SCN8ASCN4A
SCHEMBL2294677 0.82 BCHE (0.41) THRATHRBFFAR4MEN1KMT2A
SCHEMBL3155081 0.81 SCN8A (0.35) THRATHRBSCN8AALDH1A1POLB
SCHEMBL2292751 0.81 THRA (0.40) THRATHRBFFAR4SCN8AALDH1A1
SCHEMBL2294114 0.81 SCN8A (0.43) THRATHRBSCN8AALDH1A1POLB
SCHEMBL5936401 0.81 PTPN1 (0.39) FFAR4ALDH1A1MEN1MAPTKMT2A
SCHEMBL2287448 0.80 SCN4A (0.37) THRATHRBFFAR4SCN8ASCN4A
SCHEMBL1201073 0.79 ERN1 (0.41) SCN8AALDH1A1POLBMEN1MAPT

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 6 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
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN 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
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN 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 THRA 3834/4885THRB 4314/4885FFAR4 3092/4885

“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.