SCHEMBL2293041

SCHEMBL2293041

CCCc1ccccc1OCc1ccccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
NISCH Q9Y2I1 1/20 0.48
CDK4 P11802 1/20 0.48
CCND1 P24385 1/20 0.48
ALDH1A1 P00352 1/20 0.47
HPGD P15428 1/20 0.47
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
ABCB1 P08183 2/20 0.44
GAA P10253 1/20 0.43
DRD2 P14416 1/20 0.42
PPARD Q03181 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.41
ABCG2 Q9UNQ0 1/20 0.40

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
SCHEMBL2288770 0.91 CDK4 (0.46) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL1539454 0.89 HPGD (0.52) NISCHCDK4CCND1ALDH1A1HPGD
SCHEMBL2291416 0.86 L3MBTL1 (0.42) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL2288028 0.86 KMT2A (0.42) HTR1AADRA2AADRA2BADRA2CNISCH
SCHEMBL2287854 0.84 ALDH1A1 (0.40) ADRA2AADRA2BADRA2CCDK4CCND1
SCHEMBL547665 0.81 LMNA (0.50) ALDH1A1HPGDHTTSMN1; SMN2GAA
SCHEMBL1539539 0.81 CDK4 (0.61) HTR1ANISCHCDK4CCND1ALDH1A1
SCHEMBL28490726 0.81 ALDH1A1 (0.52) HTR1ACDK4CCND1ALDH1A1HPGD
SCHEMBL2287393 0.80 CDK4 (0.47) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL2291294 0.80 THRB (0.36) ADRA2AADRA2BADRA2CCDK4CCND1

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 HTR1A 658/4885ADRA2A 2636/4885ADRA2B 3184/4885

“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.