Benzene

Benzene

SCHEMBL8104016

CC(=O)OC(C)C.c1ccccc1

nearest known ligand 0.82

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.82
PDCD1 Q15116 1/20 0.43
CD274 Q9NZQ7 1/20 0.43
CA12 O43570 3/20 0.43
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
CA7 P43166 3/20 0.43
CA9 Q16790 3/20 0.43
CA14 Q9ULX7 3/20 0.43
HCAR2 Q8TDS4 1/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP3A4 P08684 1/20 0.42
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
TBXA2R P21731 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 2/20 0.39
GALR3 O60755 1/20 0.39

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 SCHEMBL28259736 0.97 TSHR (0.78) TSHRPDCD1CD274CA12CA1
Acetic Acid SCHEMBL1024317 0.91 TSHR (0.88) TSHRPDCD1CD274CA12CA1
Acetic Acid SCHEMBL28586247 0.91 TSHR (0.88) TSHRPDCD1CD274CA12CA1
Bicarbonate SCHEMBL11023772 0.91 TSHR (0.88) TSHRPDCD1CD274CA12CA1
SCHEMBL21064874 0.91 TSHR (1.00) TSHRCA12CA1CA2CA7
SCHEMBL19193 0.91
SCHEMBL3495565 0.88
Methyl Alcohol SCHEMBL584909 0.88
Ammonia Solution, Strong SCHEMBL5086843 0.88
SCHEMBL1278490 0.88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107033006-B Preparation method of diaryl ketone 长沙理工大学 2018-12-18 CN claimed
CN-107033006-A Preparation method of diaryl ketone 长沙理工大学 2017-08-11 CN claimed
EP-3368513-B1 PROCESS FOR THE SYNTHESIS OF PIRFENIDONE PROCOS SPA (IT) 2021-04-14 EP disclosed
US-10472325-B2 Process for the synthesis of pirfenidone PROCOS S.P.A. (IT) 2019-11-12 US disclosed
US-20180319747-A1 PROCESS FOR THE SYNTHESIS OF PIRFENIDONE PROCOS S.P.A. (IT) 2018-11-08 US disclosed
EP-3368513-A1 PROCESS FOR THE SYNTHESIS OF PIRFENIDONE Procos S.p.A. (IT) 2018-09-05 EP disclosed
CN-107141879-A One kind print paper money ink 北京知乎科技有限责任公司 2017-09-08 CN disclosed
WO-2017072216-A1 PROCESS FOR THE SYNTHESIS OF PIRFENIDONE PROCOS S.P.A. (IT) 2017-05-04 WO disclosed
US-6160194-A Soil decontamination using ferric chelates and peroxide THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 2000-12-12 US disclosed
US-5232484-A Aqueous acid solution; mineralization; absence of large concentrations of organic solvents, chloride and sulfate THE CONNECTICUT AGRICULTURAL EXPERIMENT STATION (US) 1993-08-03 US disclosed
US-4060688-A Cephalosporin intermediates ELI LILLY AND COMPANY (US) 1977-11-29 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-20180319747-A1 PROCESS FOR THE SYNTHESIS OF PIRFENIDONE PNPO, NUDT1, PIR TSHR 2894/4885PDCD1 348/4885CD274 1611/4885
US-10472325-B2 Process for the synthesis of pirfenidone PNPO, NUDT1, PIR TSHR 2894/4885PDCD1 348/4885CD274 1611/4885

“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.