Benzene

Benzene

SCHEMBL2386401

CCC(=O)O.O=CO.c1ccccc1

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.62
HDAC3 O15379 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC2 Q92769 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 6/20 0.37
TDP1 Q9NUW8 3/20 0.37
PPARG P37231 5/20 0.36
MAPT P10636 3/20 0.36
CYP19A1 P11511 3/20 0.36
FFAR1 O14842 3/20 0.36
RXRA P19793 2/20 0.36
OXER1 Q8TDS5 2/20 0.36
TSHR P16473 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PPARD Q03181 3/20 0.33
PPARA Q07869 3/20 0.33

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
Propionic Acid SCHEMBL9619149 0.94 FFAR3 (0.71) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL9619152 0.94 FFAR3 (0.71) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL27672329 0.94 FFAR3 (0.71) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL15260565 0.94 FFAR3 (0.71) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL1258739 0.94
Propionic Acid SCHEMBL5342228 0.94 FFAR3 (0.71) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL27313796 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL7459031 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Propionic Acid SCHEMBL19458358 0.88 FFAR3 (0.62) FFAR3HDAC3HDAC1HDAC2HDAC8
Benzene SCHEMBL161390 0.87 FFAR3 (0.83) FFAR3HDAC3HDAC1HDAC2HDAC8

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-8012486-B2 Composition for treating atopic dermatitis comprising hirsutenone as an active ingredient CHUNG-ANG UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2011-09-06 US disclosed
US-20100190729-A1 Composition for treating atopic dermatitis comprising hirsutanonol or oregonin as an active ingredient CHUNG-ANG UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2010-07-29 US disclosed
US-20100190862-A1 Composition for treating atopic dermatitis comprising hirsutenone as an active ingredient CHUNG-ANG UNIVERSITY INDUSTRY ACADEMIC COOPERATION FOUNDATION (KR) 2010-07-29 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 (2 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-20100190729-A1 Composition for treating atopic dermatitis comprising hirsutanonol or oregonin as an active ingredient MBTD1, DBNL, HMOX2 FFAR3 1122/4885HDAC3 1163/4885HDAC1 1042/4885
US-20100190862-A1 Composition for treating atopic dermatitis comprising hirsutenone as an active ingredient IL5, IL4, IL17A FFAR3 1130/4885HDAC3 806/4885HDAC1 374/4885

“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.