SCHEMBL2292761

SCHEMBL2292761

CC(=O)Oc1cc(C=O)c(COc2c(C)cccc2C)cc1OC(C)=O

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.48
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
HTT P42858 2/20 0.39
LMNA P02545 3/20 0.37
CYP3A4 P08684 1/20 0.37
FNTA P49354 1/20 0.36
FNTB P49356 1/20 0.36
PTGER4 P35408 2/20 0.36
PTGER3 P43115 2/20 0.36
PTGER2 P43116 2/20 0.36
ATM Q13315 1/20 0.36
CDK4 P11802 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
Benzene SCHEMBL2293259 0.99 PTPN1 (0.47) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2290423 0.85 KMT2A (0.39) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL1200926 0.85 LMNA (0.43) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2295286 0.84 ALDH1A1 (0.46) ALDH1A1MAPTMEN1KMT2APOLB
Benzene SCHEMBL2292646 0.84 KDM4E (0.43) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2293253 0.83 SMN1; SMN2 (0.55) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2286474 0.82 PTPN1 (0.50) PTPN1ALDH1A1MAPTMEN1KMT2A
Benzene SCHEMBL2292612 0.81 PTPN1 (0.49) PTPN1ALDH1A1MAPTMEN1KMT2A
SCHEMBL2289128 0.81 ALDH1A1 (0.37) ALDH1A1MAPTMEN1KMT2APOLB
SCHEMBL2290946 0.81 CDK4 (0.39) ALDH1A1MAPTMEN1KMT2APOLB

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 PTPN1 4716/4885ALDH1A1 83/4885MAPT 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.