Benzene

Benzene

SCHEMBL2293259

CC(=O)Oc1cc(C=O)c(COc2c(C)cccc2C)cc1OC(C)=O.c1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.47
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPT P10636 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
HTT P42858 2/20 0.38
PTGER4 P35408 3/20 0.38
PTGER3 P43115 3/20 0.38
PTGER2 P43116 3/20 0.38
PTGER1 P34995 2/20 0.37
PTGDR2 Q9Y5Y4 1/20 0.37
MAPK1 P28482 1/20 0.37
LMNA P02545 2/20 0.36
THRA P10827 1/20 0.36
THRB P10828 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
SCHEMBL2292761 0.99 PTPN1 (0.48) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2290423 0.87 KMT2A (0.39) PTPN1ALDH1A1HSD17B10MAPTSMN1; SMN2
Benzene SCHEMBL2292646 0.85 KDM4E (0.43) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2293253 0.85 SMN1; SMN2 (0.55) PTPN1ALDH1A1MAPTSMN1; SMN2KMT2A
SCHEMBL1200926 0.84 LMNA (0.43) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2295286 0.83 ALDH1A1 (0.46) ALDH1A1KDM4EHPGDHSD17B10MAPT
Benzene SCHEMBL2292612 0.82 PTPN1 (0.49) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2286474 0.81 PTPN1 (0.50) PTPN1ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL2289128 0.80 ALDH1A1 (0.37) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL2290946 0.80 CDK4 (0.39) ALDH1A1HSD17B10MAPTSMN1; SMN2KMT2A

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 PTPN1 4716/4885ALDH1A1 83/4885KDM4E 1499/4885

“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.