SCHEMBL2288019

SCHEMBL2288019

CC(C)(C)c1ccc(C(C)(C)C)c(OCc2ccccc2C=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39
MAPT P10636 3/20 0.37
MAPK1 P28482 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 4/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
HTT P42858 2/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
RXRG P48443 2/20 0.36
ALOX5AP P20292 1/20 0.36
LMNA P02545 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
SCHEMBL2290436 0.90 MAPT (0.40) CDK4CCND1MAPTMAPK1NPSR1
SCHEMBL1539444 0.85 RXRA (0.49) CDK4CCND1MAPTMAPK1NPSR1
SCHEMBL2294685 0.81 ALDH1A1 (0.36) CDK4CCND1MAPTALDH1A1SMN1; SMN2
SCHEMBL2289307 0.80 ALDH1A1 (0.44) MAPTMAPK1NPSR1ALDH1A1SMN1; SMN2
SCHEMBL1539554 0.79 APP (0.45) SMN1; SMN2HTTKMT2AL3MBTL1NPC1
SCHEMBL2286460 0.78 SOD1 (0.51) CDK4CCND1MAPTHTTTDP1
SCHEMBL2291400 0.76 ALDH1A1 (0.39) CDK4CCND1ALDH1A1SMN1; SMN2HTT
SCHEMBL8684021 0.74 MRGPRX4 (0.48) CDK4CCND1MAPTMAPK1SMN1; SMN2
SCHEMBL1539454 0.72 HPGD (0.52) CDK4CCND1MAPTNPSR1ALDH1A1
Ethylene Glycol SCHEMBL1683294 0.72 RXRA (0.40) CDK4CCND1MAPTMAPK1NPSR1

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 457/4885MAPT 3284/4885

“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.