SCHEMBL2290432

SCHEMBL2290432

CC(C)Cc1ccc(CC(C)C)c(OCc2ccccc2C=O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
FFAR4 Q5NUL3 2/20 0.39
CDK4 P11802 2/20 0.39
CCND1 P24385 2/20 0.39
GABRA1 P14867 1/20 0.37
GABRB2 P47870 1/20 0.37
CTSS P25774 1/20 0.37
CTSK P43235 1/20 0.37
HTT P42858 3/20 0.36
SMN1; SMN2 Q16637 3/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
RAB9A P51151 1/20 0.36
CCNB2 O95067 1/20 0.33
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33

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
SCHEMBL2289157 0.90 FFAR4 (0.47) KMT2ATDP1L3MBTL1FFAR4CDK4
SCHEMBL2287393 0.86 CDK4 (0.47) KMT2ATDP1L3MBTL1FFAR4CDK4
SCHEMBL2290712 0.82 GABRA1 (0.36) KMT2ATDP1L3MBTL1FFAR4CDK4
SCHEMBL2290698 0.81 MAOB (0.44) FFAR4RAB9A
SCHEMBL1539441 0.81 L3MBTL1 (0.45) KMT2ATDP1L3MBTL1CDK4CCND1
SCHEMBL2290856 0.81 MAOA (0.46) CDK4CCND1NPC1RAB9ACCNB2
SCHEMBL2291846 0.80 FFAR4 (0.45) FFAR4GABRA1GABRB2HTTSMN1; SMN2
SCHEMBL2287987 0.78 GABRA1 (0.40) KMT2ATDP1L3MBTL1CDK4CCND1
SCHEMBL2288028 0.78 KMT2A (0.42) KMT2ATDP1L3MBTL1FFAR4CDK4
SCHEMBL2292149 0.76 L3MBTL1 (0.41) KMT2ATDP1L3MBTL1CDK4CCND1

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 KMT2A 481/4885TDP1 4439/4885L3MBTL1 2751/4885

“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.