SCHEMBL2294685

SCHEMBL2294685

CC(C)(C)c1cc(C(C)(C)C)c(OCc2ccccc2C=O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
HTT P42858 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HPGD P15428 1/20 0.36
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
KMT2A Q03164 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALOX5 P09917 2/20 0.33
PTGS2 P35354 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
TSHR P16473 2/20 0.33
MAPT P10636 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
BCHE P06276 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
SCHEMBL2291400 0.87 ALDH1A1 (0.39) ALDH1A1HTTSMN1; SMN2HPGDCDK4
SCHEMBL2290436 0.84 MAPT (0.40) ALDH1A1HTTSMN1; SMN2HPGDCDK4
SCHEMBL2288019 0.81 CDK4 (0.39) ALDH1A1HTTSMN1; SMN2HPGDCDK4
SCHEMBL1539554 0.78 APP (0.45) HTTSMN1; SMN2KMT2AL3MBTL1NPC1
SCHEMBL2291817 0.78 IDO1 (0.42) ALDH1A1HTTSMN1; SMN2NPC1RAB9A
SCHEMBL1539444 0.78 RXRA (0.49) ALDH1A1HTTSMN1; SMN2HPGDCDK4
SCHEMBL2286460 0.78 SOD1 (0.51) HTTCDK4CCND1TDP1L3MBTL1
SCHEMBL12771294 0.74 ERN1 (0.36) HPGDCDK4CCND1MAPTLMNA
SCHEMBL1539550 0.74 ALDH1A1 (0.43) ALDH1A1HTTSMN1; SMN2HPGDCDK4
SCHEMBL1539552 0.74 CDK4 (0.44) ALDH1A1HTTSMN1; SMN2HPGDCDK4

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 ALDH1A1 83/4885HTT 1687/4885SMN1; SMN2 3093/4885

“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.