SCHEMBL2291408

SCHEMBL2291408

COc1cc(C)c(Br)c(COc2c(C)cccc2C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 4/20 0.40
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
POLB P06746 2/20 0.38
MAOB P27338 4/20 0.38
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
SCN4A P35499 3/20 0.36
LMNA P02545 3/20 0.36
SCN1A P35498 2/20 0.36
SCN5A Q14524 2/20 0.36
SCN9A Q15858 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
TSHR P16473 1/20 0.36

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
SCHEMBL2295209 0.84 ALDH1A1 (0.38) SCN8AALDH1A1MEN1KMT2AMAPT
SCHEMBL17429655 0.84 RECQL (0.43) ALDH1A1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL2292619 0.83 PTPN1 (0.44) ALDH1A1MEN1KMT2AMAPTSMN1; SMN2
SCHEMBL2291322 0.83 THRA (0.41) SCN8AALDH1A1MEN1KMT2AMAPT
SCHEMBL2289720 0.82 THRA (0.35) SCN8AALDH1A1MEN1KMT2AMAPT
SCHEMBL2294114 0.82 SCN8A (0.43) SCN8AALDH1A1MEN1KMT2AMAPT
SCHEMBL2292621 0.78 ALDH1A1 (0.41) SCN8AALDH1A1MEN1KMT2AMAPT
SCHEMBL2295413 0.77 SCN8A (0.41) SCN8AALDH1A1MEN1KMT2AMAPT
SCHEMBL2295503 0.77 MEN1 (0.40) ALDH1A1MEN1KMT2AMAOBLMNA
SCHEMBL2287342 0.77 SCN4A (0.37) SCN8AALDH1A1MEN1KMT2AMAPT

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 SCN8A 1991/4885ALDH1A1 83/4885MEN1 186/4885

“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.