SCHEMBL2294471

SCHEMBL2294471

Cc1cccc(C)c1OCc1cc(Oc2ccccc2F)ccc1C=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.42
PPARG P37231 2/20 0.40
SCN8A Q9UQD0 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CDK4 P11802 2/20 0.38
CCND1 P24385 2/20 0.38
LMNA P02545 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
GCK P35557 2/20 0.36
FFAR1 O14842 1/20 0.35
PARP10 Q53GL7 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
CCNB2 O95067 1/20 0.35
CDK1 P06493 1/20 0.35
CCNB1 P14635 1/20 0.35
CCNB3 Q8WWL7 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL2288078 0.91 FFAR1 (0.42) ALDH1A1PPARGNPSR1CDK4CCND1
SCHEMBL2292794 0.87 SCN8A (0.39) ALDH1A1PPARGSCN8ACDK4CCND1
SCHEMBL1199640 0.85 MAPT (0.37) ALDH1A1SCN8ANPSR1CDK4CCND1
SCHEMBL1201118 0.84 CDK4 (0.41) ALDH1A1PPARGCDK4CCND1LMNA
SCHEMBL2295498 0.83 NPSR1 (0.36) ALDH1A1PPARGNPSR1CDK4CCND1
SCHEMBL2295541 0.82 SCN8A (0.38) ALDH1A1PPARGSCN8ANPSR1LMNA
SCHEMBL2287699 0.81 ALDH1A1 (0.43) ALDH1A1PPARGSCN8ACDK4CCND1
SCHEMBL2293617 0.80 TRIM24 (0.49) ALDH1A1SCN8ACDK4CCND1LMNA
SCHEMBL2289750 0.79 CCNB2 (0.40) ALDH1A1CDK4CCND1CYP1A2CCNB2
SCHEMBL1201385 0.79 SCN8A (0.46) ALDH1A1PPARGSCN8ACDK4CCND1

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 ALDH1A1 83/4885PPARG 834/4885SCN8A 1991/4885

“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.