Benzene

Benzene

SCHEMBL4270891

ClCc1ccnc2ccccc12.c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.62
CYP1A2 P05177 2/20 0.50
NCF1 P14598 1/20 0.50
KDM4E B2RXH2 3/20 0.49
ALDH1A1 P00352 2/20 0.49
LMNA P02545 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HTR1A P08908 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
KMT2A Q03164 2/20 0.47
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 2/20 0.43
FERMT2 Q96AC1 1/20 0.43
CYP2C9 P11712 1/20 0.43
HPGD P15428 1/20 0.43

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 SCHEMBL6630123 0.98 LOXL2 (0.60) LOXL2CYP1A2NCF1KDM4EALDH1A1
SCHEMBL996284 0.98 LOXL2 (0.64) LOXL2CYP1A2NCF1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL2887499 0.96 LOXL2 (0.62) LOXL2CYP1A2NCF1KDM4EALDH1A1
SCHEMBL6629717 0.83 MAPT (0.54) LOXL2NCF1KDM4EALDH1A1LMNA
Hydrochloric Acid SCHEMBL11972049 0.82 MAPT (0.52) LOXL2NCF1KDM4EALDH1A1LMNA
SCHEMBL7747842 0.82 LOXL2 (0.60) LOXL2CYP1A2NCF1KDM4EALDH1A1
SCHEMBL7599320 0.80 LOXL2 (0.58) LOXL2CYP1A2NCF1KDM4EALDH1A1
Benzene SCHEMBL6631416 0.79 LOXL2 (0.62) LOXL2CYP1A2NCF1KDM4EALDH1A1
Hydrochloric Acid SCHEMBL28182640 0.79 LOXL2 (0.56) LOXL2CYP1A2NCF1KDM4EALDH1A1
SCHEMBL31599195 0.78 LOXL2 (0.67) LOXL2CYP1A2NCF1KDM4EALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090239890-A1 SPIRO SUBSTITUTED CYCLOPROPANE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2009-09-24 US 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-20090239890-A1 SPIRO SUBSTITUTED CYCLOPROPANE COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 LOXL2 1248/4885CYP1A2 1093/4885NCF1 942/4885

“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.