SCHEMBL2287699

SCHEMBL2287699

COc1ccc(Oc2ccc(C=O)c(COc3c(C)cccc3C)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
LMNA P02545 3/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
SCN8A Q9UQD0 2/20 0.41
TRIM24 O15164 1/20 0.41
TYR P14679 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
POLB P06746 1/20 0.38
KDM4E B2RXH2 2/20 0.38
HTT P42858 1/20 0.38
TUBB1 Q9H4B7 1/20 0.36

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
SCHEMBL2293617 0.92 TRIM24 (0.49) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL1201118 0.91 CDK4 (0.41) ALDH1A1LMNATDP1SMN1; SMN2KMT2A
SCHEMBL2292794 0.89 SCN8A (0.39) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL2288078 0.85 FFAR1 (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL1199640 0.84 MAPT (0.37) ALDH1A1LMNASCN8ATRIM24TYR
SCHEMBL2289750 0.83 CCNB2 (0.40) ALDH1A1CYP1A2SMN1; SMN2MAPTMEN1
SCHEMBL2295498 0.82 NPSR1 (0.36) ALDH1A1NPC1RAB9ATDP1SMN1; SMN2
SCHEMBL2294471 0.81 ALDH1A1 (0.42) ALDH1A1LMNACYP1A2CYP2C9CYP2C19
SCHEMBL1200926 0.81 LMNA (0.43) ALDH1A1LMNATRIM24TYRTRIM33
SCHEMBL1200524 0.81 CDK4 (0.38) ALDH1A1LMNASCN8ATRIM24TYR

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 5 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
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 ALDH1A1 83/4885LMNA 1225/4885CYP1A2 216/4885

“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.