SCHEMBL2294677

SCHEMBL2294677

CCN(CC)Cc1ccc(Br)c(COc2c(C)cccc2C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCHE P06276 4/20 0.41
CCR5 P51681 1/20 0.40
KDM4E B2RXH2 1/20 0.39
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
TSHR P16473 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
FFAR4 Q5NUL3 2/20 0.36
HTR1A P08908 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HTR2B P41595 1/20 0.35
HTR5A P47898 1/20 0.35
HTR6 P50406 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 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
SCHEMBL2293620 0.88 THRA (0.39) CCR5THRATHRBTSHRHRH3
SCHEMBL2287448 0.84 SCN4A (0.37) THRATHRBTSHRFFAR4HTR2B
SCHEMBL2290297 0.83 THRA (0.40) THRATHRBTSHRKMT2AFFAR4
SCHEMBL2292586 0.82 BCHE (0.38) BCHECCR5KDM4EHRH3MEN1
SCHEMBL2290430 0.82 THRA (0.40) THRATHRBTSHRMEN1KMT2A
SCHEMBL2293554 0.80 THRA (0.39) THRATHRBTSHRMEN1KMT2A
SCHEMBL2292751 0.77 THRA (0.40) THRATHRBTSHRMEN1KMT2A
SCHEMBL2293768 0.76 TP53 (0.39) KDM4ETHRATHRBTSHRMEN1
SCHEMBL2293789 0.75 ALDH1A1 (0.42) THRATHRBMEN1KMT2AFFAR4
SCHEMBL27777987 0.75 FFAR4 (0.37) THRATHRBTSHRFFAR4HTR2B

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 BCHE 3787/4885CCR5 3586/4885KDM4E 1499/4885

“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.