Benzene

Benzene

SCHEMBL3155472

CC(=O)Oc1ccccc1C=O.c1ccccc1

nearest known ligand 0.69

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.58
PTGS2 P35354 3/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 2/20 0.58
HSD17B10 Q99714 2/20 0.58
BLM P54132 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
ESR1 P03372 1/20 0.58
ITGB3 P05106 1/20 0.58
ITGA2B P08514 1/20 0.58
HMGB1 P09429 1/20 0.58
TSHR P16473 1/20 0.58
GGT1 P19440 1/20 0.58
PTGS1 P23219 1/20 0.58
NAPRT Q6XQN6 1/20 0.58
PTGDR2 Q9Y5Y4 1/20 0.58
LMNA P02545 4/20 0.55
KMT2A Q03164 4/20 0.55
GAA P10253 1/20 0.55
HTT P42858 1/20 0.53

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
SCHEMBL870959 0.98 ALDH1A1 (0.55) ALDH1A1PTGS2HPGDKDM4EHSD17B10
Naphthalene SCHEMBL3150577 0.92 KMT2A (0.52) ALDH1A1PTGS2HPGDKDM4EHSD17B10
SCHEMBL27416707 0.87 LMNA (0.55) ALDH1A1PTGS2HPGDKDM4EHSD17B10
SCHEMBL14010529 0.86 ALDH1A1 (0.52) ALDH1A1PTGS2HPGDKDM4EHSD17B10
SCHEMBL1603612 0.86 MEN1 (0.60) ALDH1A1PTGS2HPGDKDM4EHSD17B10
SCHEMBL1201194 0.85 PTGDR2 (0.47) ALDH1A1PTGS2HPGDKDM4EHSD17B10
Benzene SCHEMBL29242020 0.85 PTGS2 (0.55) ALDH1A1PTGS2HPGDKDM4EHSD17B10
SCHEMBL3864807 0.85 ERN1 (0.68) ALDH1A1PTGS2HPGDKDM4EHSD17B10
SCHEMBL29445574 0.83 PTGDR2 (0.61) ALDH1A1HPGDKDM4EHSD17B10BLM
SCHEMBL6238224 0.83 PTGDR2 (0.61) ALDH1A1HPGDKDM4EHSD17B10BLM

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-2154123-B1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL CO (JP) 2013-10-23 EP disclosed
US-7851659-B2 Method for producing benzaldehyde compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-12-14 US disclosed
US-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-09-16 US disclosed
EP-2154123-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND Sumitomo Chemical Company, Limited (JP) 2010-02-17 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-20100234645-A1 METHOD FOR PRODUCING BENZALDEHYDE COMPOUND NQO1, NQO2, NDUFC2 ALDH1A1 94/4885PTGS2 495/4885HPGD 564/4885

“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.