SCHEMBL2291322

SCHEMBL2291322

Cc1cc(C)c(Br)c(COc2c(C)cccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 2/20 0.41
THRB P10828 2/20 0.41
NR3C1 P04150 1/20 0.40
SCN4A P35499 9/20 0.39
LMNA P02545 3/20 0.39
SCN1A P35498 2/20 0.39
SCN5A Q14524 2/20 0.39
SCN9A Q15858 2/20 0.39
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
NFKB1 P19838 2/20 0.39
CYP2C9 P11712 1/20 0.39
TSHR P16473 1/20 0.39
KCNK3 O14649 1/20 0.39
CACNA1F O60840 1/20 0.39
KCNK2 O95069 1/20 0.39
GBA1 P04062 1/20 0.39
MAOA P21397 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL2287236 0.87 GABRA1 (0.44) THRATHRBNR3C1SCN4ALMNA
SCHEMBL2291408 0.83 SCN8A (0.40) THRATHRBSCN4ALMNASCN1A
SCHEMBL2287342 0.80 SCN4A (0.37) THRATHRBSCN4ALMNASCN1A
SCHEMBL2295209 0.79 ALDH1A1 (0.38) THRATHRBSCN4ALMNASCN1A
SCHEMBL2287346 0.79 HRH3 (0.38) THRATHRBSCN4ALMNASCN1A
SCHEMBL2292619 0.78 PTPN1 (0.44) THRATHRBLMNACYP3A4ALDH1A1
SCHEMBL2289720 0.77 THRA (0.35) THRATHRBNR3C1SCN4ALMNA
SCHEMBL2289109 0.76 NR3C1 (0.43) THRATHRBNR3C1SCN4ALMNA
SCHEMBL2295503 0.75 MEN1 (0.40) LMNAALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL2292139 0.75 THRA (0.48) THRATHRBLMNAEDNRBEDNRA

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 THRA 3834/4885THRB 4314/4885NR3C1 947/4885

“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.