Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Fluorobenzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CES2 | O00748 | 4/20 | 0.46 |
| ▸ | CES1 | P23141 | 4/20 | 0.46 |
| ▸ | KCNN4 | O15554 | 2/20 | 0.45 |
| ▸ | NPC1 | O15118 | 2/20 | 0.45 |
| ▸ | RAB9A | P51151 | 1/20 | 0.45 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.44 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.44 |
| ▸ | CA12 | O43570 | 1/20 | 0.43 |
| ▸ | CA1 | P00915 | 1/20 | 0.43 |
| ▸ | CA2 | P00918 | 1/20 | 0.43 |
| ▸ | CA4 | P22748 | 1/20 | 0.43 |
| ▸ | CA7 | P43166 | 1/20 | 0.43 |
| ▸ | CA9 | Q16790 | 1/20 | 0.43 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.42 |
| ▸ | BCL2L1 | Q07817 | 1/20 | 0.42 |
| ▸ | BAD | Q92934 | 1/20 | 0.42 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.42 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.42 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Fluorobenzene SCHEMBL28283283 | 0.97 | CES2 (0.44) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL27879092 | 0.97 | CES2 (0.44) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL27503864 | 0.97 | CES2 (0.44) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL28873630 | 0.97 | CES2 (0.44) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL28312723 | 0.95 | CES2 (0.42) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL5606691 | 0.94 | CES2 (0.46) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL28291780 | 0.89 | KCNN4 (0.52) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL27634069 | 0.89 | CES2 (0.48) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL5262143 | 0.89 | ALDH1A1 (0.44) | CES2CES1KCNN4NPC1RAB9A | |
| Fluorobenzene SCHEMBL27509339 | 0.88 | NQO2 (0.49) | KCNN4NPC1RAB9AHSD17B10MAPT |
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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | claimed |
| CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2020-02-18 | — | — | CN | claimed |
| CN-102020553-B | P-alkyl group substituted-4-fluorophenylacetic acid, synthesis method and application thereof | Shanghai tianwen chemical co ltd | 2013-10-30 | — | — | CN | claimed |
| CN-102020553-A | P-alkyl group substituted-4-fluorophenylacetic acid, synthesis method and application thereof | Shanghai tianwen chemical co ltd | 2011-04-20 | — | — | CN | claimed |
| CN-101837303-A | Novel nickel catalyst and preparation method and application thereof | SHANGHAI WANSHUO CHEMICAL CO LTD | 2010-09-22 | — | — | CN | claimed |
| CN-115073250-B | Sp-based 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluoro carboxylic acid compound by fluorocarbon bond carboxylation reaction | 四川大学 | 2023-10-03 | — | — | CN | disclosed |
| CN-115073250-A | Based on sp 3 Method for synthesizing alpha-aryl acetic acid or alpha-fluorocarboxylic acid compound by virtue of carbon-fluorine bond carboxylation reaction | 四川大学 | 2022-09-20 | — | — | CN | disclosed |
| CN-114874061-A | Preparation method of prasugrel intermediate and analogue thereof | 中国人民解放军海军军医大学 | 2022-08-09 | — | — | CN | disclosed |
| CN-111440077-B | Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in antiallergic hair dye | 上海舒尔发化妆品科技有限公司 | 2022-07-22 | — | — | CN | disclosed |
| CN-110803992-B | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2022-06-24 | — | — | CN | disclosed |
| CN-111440077-A | Synthesis method of 2, 5-diaminophenylethanol sulfate and application thereof in anti-allergic hair dye | 上海舒尔发化妆品科技有限公司 | 2020-07-24 | — | — | CN | disclosed |
| CN-110803992-A | Preparation method of 3-nitro-4-fluoroacetophenone acetate | 暨明医药科技（苏州）有限公司 | 2020-02-18 | — | — | CN | disclosed |
| CN-1558898-A | Antiviral agent | ��Ұ����ҩ��ʽ���� | 2004-12-29 | — | — | CN | disclosed |
| CN-1136197-C | Novel pyridajinone derivatives | - | 2004-01-28 | — | — | CN | disclosed |
| US-20030073704-A1 | Substituted pyridone compounds and methods of use | AMGEN INC. | 2003-04-17 | — | — | US | disclosed |
| CN-1194580-A | Ketone derivatives and medical use thereof | TORAY INDUSTRIES (JP) | 1998-09-30 | — | — | CN | disclosed |
| CN-1169426-A | Novel pyridajinone derivatives | HOFFMANN LA ROCHE (CH) | 1998-01-07 | — | — | CN | disclosed |
| CN-1033031-C | Modified gangliosides and functional derivatives thereof | FIDIA SPA (IT) | 1996-10-16 | — | — | CN | disclosed |
| CN-1053921-A | Therapeutical agent | BOOTS CO PLC (GB) | 1991-08-21 | — | — | CN | disclosed |
| CN-1051912-A | Improved gangliosides and functional derivatives thereof | FIDIA B P A (IT) | 1991-06-05 | — | — | CN | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20030073704-A1 | Substituted pyridone compounds and methods of use | IL6, IL1B, IL1A | CES2 3925/4885CES1 572/4885KCNN4 3682/4885 |
“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.