Benzene

Benzene

SCHEMBL21273372

CC(=O)O.CC(=O)O.c1ccccc1

nearest known ligand 0.78

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.78
LCK P06239 1/20 0.78
FYN P06241 1/20 0.78
LMNA P02545 2/20 0.50
TSHR P16473 3/20 0.46
THPO P40225 1/20 0.46
CES2 O00748 1/20 0.42
CES1 P23141 1/20 0.42
CA1 P00915 3/20 0.42
ALOX15 P16050 1/20 0.42
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
CA2 P00918 2/20 0.40
CA9 Q16790 1/20 0.40
NAPRT Q6XQN6 1/20 0.40
HSD17B10 Q99714 1/20 0.40
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
TDP1 Q9NUW8 2/20 0.36

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 SCHEMBL27465824 1.00 FFAR3 (0.78) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL28054628 1.00 FFAR3 (0.78) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL1761127 1.00 FFAR3 (0.78) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL30925595 1.00 FFAR3 (0.78) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL10625833 0.95 FFAR3 (0.70) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL4654686 0.95 FFAR3 (0.70) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL3673826 0.95 FFAR3 (0.70) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL20972992 0.95 FFAR3 (0.70) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL11667036 0.95 FFAR3 (0.70) FFAR3LCKFYNLMNATSHR
Benzene SCHEMBL27480367 0.95 FFAR3 (0.70) FFAR3LCKFYNLMNATSHR

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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117225384-B Composite material capable of efficiently adsorbing formaldehyde and noble metal as well as preparation method and application thereof 天津得瑞丰凯新材料科技有限公司 2024-02-09 CN claimed
CN-117225384-A Composite material capable of efficiently adsorbing formaldehyde and noble metal as well as preparation method and application thereof 天津得瑞丰凯新材料科技有限公司 2023-12-15 CN claimed
CN-111393660-A Nickel metal coordination polymer and preparation method and application thereof 延安大学 2020-07-10 CN claimed
CN-111205473-A Zinc metal coordination polymer and preparation method and application thereof 延安大学 2020-05-29 CN claimed
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors GLENMARK SPECIALITY S.A. (CH) 2026-03-17 US disclosed
US-12577217-B2 15-PGDH inhibitor KYORIN PHARMACEUTICAL CO., LTD. (JP) 2026-03-17 US disclosed
CN-120189526-A Hoberthidiene antibody-drug conjugates and methods of use 卫材R&D管理有限公司 2025-06-24 CN disclosed
CN-113271981-B Hoberthidiene antibody-drug conjugates and methods of use 卫材R&D管理有限公司 2025-04-11 CN disclosed
CN-119462483-A Long-acting flame-retardant anti-aging auxiliary agent and preparation method and application thereof 宿迁联宏新材料有限公司 2025-02-18 CN disclosed
US-20240325426-A1 POLYNUCLEOTIDE AND PHARMACEUTICAL COMPOSITION KYOWA KIRIN CO., LTD. (JP) 2024-10-03 US disclosed
EP-4367123-A1 PYRIMIDINE COMPOUNDS FOR USE AS MAP4K1 INHIBITORS Glenmark Specialty S.A. (CH) 2024-05-15 EP disclosed
EP-4365288-A1 POLYNUCLEOTIDE AND MEDICINAL COMPOSITION Kyowa Kirin Co., Ltd. (JP) 2024-05-08 EP disclosed
CN-113774522-A High-elongation high-strength polyurethane elastic fiber and preparation method thereof 华峰化学股份有限公司 2021-12-10 CN disclosed
CN-112391632-A Corrosion inhibitor, preparation method thereof and method for inhibiting naphthenic acid corrosion in oil product 广昌达新材料技术服务(深圳)股份有限公司 2021-02-23 CN disclosed
CN-106674130-B Bipyrimidinediamine and preparation method thereof 江西师范大学 2020-07-31 CN disclosed
CN-111393660-A Nickel metal coordination polymer and preparation method and application thereof 延安大学 2020-07-10 CN disclosed
CN-111205473-A Zinc metal coordination polymer and preparation method and application thereof 延安大学 2020-05-29 CN disclosed
CN-106537564-B Sealing composition and method for manufacturing semiconductor device 三井化学株式会社 2020-02-21 CN disclosed
EP-3540008-A1 RESIN COMPOSITION AND MULTILAYERED STRUCTURE USING SAME Mitsubishi Chemical Corporation (JP) 2019-09-18 EP disclosed
US-20190256700-A1 RESIN COMPOSITION AND MULTILAYERED STRUCTURE USING SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2019-08-22 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 (3 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-12577217-B2 15-PGDH inhibitor PTGDR, ADH1A, ADRA1A FFAR3 594/4885LCK 4885/4885FYN 4709/4885
US-12577267-B2 Pyrimidine compounds for use as MAP4K1 inhibitors PTK2B, MAP3K10, MAP3K20 FFAR3 2356/4885LCK 37/4885FYN 26/4885
US-20240325426-A1 POLYNUCLEOTIDE AND PHARMACEUTICAL COMPOSITION RNGTT, RNMT, NT5C FFAR3 1541/4885LCK 2581/4885FYN 2435/4885

“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.