Benzene

Benzene

SCHEMBL3150461

CC(=O)Oc1ccccc1CCl.c1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 8/20 0.55
KDM4E B2RXH2 3/20 0.55
HSD17B10 Q99714 2/20 0.55
ALDH1A1 P00352 2/20 0.55
ESR1 P03372 1/20 0.55
ITGB3 P05106 1/20 0.55
ITGA2B P08514 1/20 0.55
HMGB1 P09429 1/20 0.55
HPGD P15428 1/20 0.55
TSHR P16473 1/20 0.55
GGT1 P19440 1/20 0.55
PTGS1 P23219 1/20 0.55
BLM P54132 1/20 0.55
NAPRT Q6XQN6 1/20 0.55
TDP1 Q9NUW8 1/20 0.55
LMNA P02545 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
MAPT P10636 2/20 0.47
HSP90AA1 P07900 1/20 0.47

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
SCHEMBL248688 0.98 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL30997189 0.98 PTGS2 (0.52) PTGS2KDM4EHSD17B10ALDH1A1ESR1
Naphthalene SCHEMBL3155078 0.93 PTGS2 (0.47) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL4328045 0.87 HSD17B10 (0.65) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL609103 0.85 CXCL8 (0.42) ALDH1A1TSHRPPARGPPARAMAPK1
Benzene SCHEMBL28173619 0.85 PTGS2 (0.58) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL7097468 0.83 PPARA (0.63) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL68677 0.82 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL30850062 0.82 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1
SCHEMBL11589528 0.82 PTGS2 (0.55) PTGS2KDM4EHSD17B10ALDH1A1ESR1

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 PTGS2 495/4885KDM4E 2872/4885HSD17B10 470/4885

“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.