SCHEMBL2287393

SCHEMBL2287393

CC(C)Cc1ccccc1OCc1ccccc1C=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 2/20 0.47
CCND1 P24385 2/20 0.47
ALDH1A1 P00352 5/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
CTSS P25774 1/20 0.41
CTSK P43235 1/20 0.41
KMT2A Q03164 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGDR2 Q9Y5Y4 1/20 0.40
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38
RECQL P46063 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 1/20 0.38
CCNB1 P14635 1/20 0.38
CCNB3 Q8WWL7 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38

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
SCHEMBL2290432 0.86 KMT2A (0.41) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL2289157 0.86 FFAR4 (0.47) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL2287987 0.85 GABRA1 (0.40) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL1539454 0.84 HPGD (0.52) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL1539493 0.82 CDK4 (0.47) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL548215 0.82 KMT2A (0.48) ALDH1A1HPGDHTTSMN1; SMN2CTSS
SCHEMBL2290712 0.80 GABRA1 (0.36) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL2293041 0.80 HTR1A (0.48) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL28490726 0.80 ALDH1A1 (0.52) CDK4CCND1ALDH1A1HPGDHTT
SCHEMBL1539539 0.80 CDK4 (0.61) CDK4CCND1ALDH1A1HPGDHTT

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 6 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
CN-101679172-B Method for producing benzaldehyde compound SUMITOMO CO LTD 2013-05-29 CN 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
CN-101679172-A Method for producing benzaldehyde compound SUMITOMO CHEMICAL CO 2010-03-24 CN 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 CDK4 235/4885CCND1 457/4885ALDH1A1 83/4885

“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.