SCHEMBL2292229

SCHEMBL2292229

COCc1cc(COc2c(C)cccc2C)c(Br)c(C(C)(C)C)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN2A Q99250 3/20 0.42
ALDH1A1 P00352 5/20 0.34
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34
DHFR P00374 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
KDM4E B2RXH2 1/20 0.32
SCN4A P35499 3/20 0.31
SCN8A Q9UQD0 3/20 0.31
CYP2D6 P10635 2/20 0.31
LMNA P02545 2/20 0.31
SCN1A P35498 2/20 0.31
SCN5A Q14524 2/20 0.31
SCN9A Q15858 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31

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
SCHEMBL2295181 0.83 SCN2A (0.39) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2293032 0.81 SCN2A (0.42) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2295170 0.78 SCN2A (0.36) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2290430 0.77 THRA (0.40) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2288607 0.77 CYP3A4 (0.40) SCN2AALDH1A1THRATHRBSMN1; SMN2
SCHEMBL2292932 0.76 HSPA5 (0.37) DHFR
SCHEMBL2289705 0.76 ALDH1A1 (0.41) SCN2AALDH1A1THRATHRBSMN1; SMN2
Formaldehyde SCHEMBL27777956 0.72 MRGPRX4 (0.39) SCN2AALDH1A1SMN1; SMN2MEN1KMT2A
SCHEMBL2292232 0.72 MEN1 (0.37) ALDH1A1SMN1; SMN2MEN1MAPTKMT2A
SCHEMBL12894343 0.71 SCN8A (0.46) SCN2AALDH1A1SMN1; SMN2POLBKDM4E

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 SCN2A 1208/4885ALDH1A1 83/4885THRA 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.