SCHEMBL2288607

SCHEMBL2288607

CC(=O)Oc1cc(COc2c(C)cccc2C)c(Br)c(C(C)(C)C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.40
PTPN1 P18031 2/20 0.40
ALDH1A1 P00352 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.38
SCN2A Q99250 2/20 0.37
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
ATM Q13315 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
MAOB P27338 1/20 0.35
GAA P10253 1/20 0.35
POLB P06746 2/20 0.35
MEN1 O00255 1/20 0.35
MAPT P10636 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
BACE1 P56817 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
SCHEMBL2292619 0.86 PTPN1 (0.44) CYP3A4PTPN1ALDH1A1KDM4EHPGD
SCHEMBL2294121 0.84 CYP3A4 (0.39) CYP3A4PTPN1ALDH1A1KDM4EHPGD
SCHEMBL2289705 0.82 ALDH1A1 (0.41) ALDH1A1SCN2ATHRATHRBPOLB
SCHEMBL2295170 0.82 SCN2A (0.36) CYP3A4ALDH1A1KDM4ELMNASCN2A
SCHEMBL2295181 0.80 SCN2A (0.39) CYP3A4ALDH1A1KDM4ELMNASCN2A
SCHEMBL2295483 0.79 LMNA (0.45) CYP3A4PTPN1ALDH1A1KDM4EHPGD
SCHEMBL2292232 0.78 MEN1 (0.37) ALDH1A1HPGDLMNAL3MBTL1MAOB
Benzene SCHEMBL2294675 0.78 THRA (0.45) CYP3A4PTPN1ALDH1A1KDM4EHPGD
SCHEMBL2292229 0.77 SCN2A (0.42) CYP3A4ALDH1A1KDM4ELMNASCN2A
SCHEMBL2289738 0.76 CYP3A4 (0.37) CYP3A4KDM4ELMNAPOLBMEN1

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 CYP3A4 168/4885PTPN1 4716/4885ALDH1A1 83/4885

“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.