Benzene

Benzene

SCHEMBL3950892

CCNC(=O)OCCO.c1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACHE P22303 14/20 0.58
CHRNB2 P17787 1/20 0.49
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
CHRNA4 P43681 1/20 0.49
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
NPC1 O15118 1/20 0.40
LMNA P02545 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40

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
SCHEMBL5249543 0.94
SCHEMBL16674069 0.82 ACHE (0.60) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5249634 0.82 ACHE (0.52) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5247780 0.82 ACHE (0.52) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5244923 0.81 ACHE (0.59) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5244892 0.79 ACHE (0.68) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL13060419 0.78
SCHEMBL16673943 0.78 ACHE (0.63) ACHECHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL965762 0.78
SCHEMBL22358999 0.78 ACHE (0.71) ACHECHRNB2CHRNB4CHRNA3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7498394-B2 (Meth)acrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2009-03-03 US disclosed
US-20060252900-A1 (Meth)arcrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained REGENTS OF THE UNIVERSITY OF COLORADO, THE 2006-11-09 US disclosed
WO-2004077511-A2 (METH)ACRYLIC AND (METH)ACRYLAMIDE MONOMERS, POLYMERIZABLE COMPOSITIONS, AND POLYMERS OBTAINED THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2004-09-10 WO 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-20060252900-A1 (Meth)arcrylic and (meth)acrylamide monomers, polymerizable compositions, and polymers obtained MMAB, MAT1A, MAT2A ACHE 3480/4885CHRNB2 3281/4885CHRNB4 3303/4885

“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.