Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Orthocresol. 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 | |
|---|---|---|---|---|
| ▸ | ESR1 known ✓ | P03372 | 1/20 | 0.43 |
| ▸ | ESR2 known ✓ | Q92731 | 1/20 | 0.43 |
| ▸ | TRPA1 | O75762 | 2/20 | 0.48 |
| ▸ | ATM | Q13315 | 1/20 | 0.48 |
| ▸ | ALDH1A1 | P00352 | 6/20 | 0.46 |
| ▸ | HPGD | P15428 | 6/20 | 0.46 |
| ▸ | KDM4E | B2RXH2 | 5/20 | 0.46 |
| ▸ | CA12 | O43570 | 3/20 | 0.46 |
| ▸ | CA2 | P00918 | 3/20 | 0.46 |
| ▸ | CA14 | Q9ULX7 | 3/20 | 0.46 |
| ▸ | CA4 | P22748 | 2/20 | 0.46 |
| ▸ | SMN1; SMN2 | Q16637 | 2/20 | 0.46 |
| ▸ | CA1 | P00915 | 2/20 | 0.46 |
| ▸ | CA7 | P43166 | 2/20 | 0.46 |
| ▸ | CA9 | Q16790 | 2/20 | 0.46 |
| ▸ | THRB | P10828 | 1/20 | 0.46 |
| ▸ | HMGB1 | P09429 | 1/20 | 0.46 |
| ▸ | CA6 | P23280 | 1/20 | 0.46 |
| ▸ | NAPRT | Q6XQN6 | 1/20 | 0.46 |
| ▸ | HSD17B10 | Q99714 | 4/20 | 0.46 |
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 | |
|---|---|---|---|---|
| Orthocresol SCHEMBL6566573 | 0.92 | TRPA1 (0.50) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL28747710 | 0.92 | TRPA1 (0.50) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL18725587 | 0.92 | TRPA1 (0.50) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL14856303 | 0.90 | TRPA1 (0.48) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL3862455 | 0.89 | TRPA1 (0.57) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL29233113 | 0.88 | KDM4E (0.54) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL28822341 | 0.88 | ALDH1A1 (0.54) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL27415541 | 0.88 | TRPA1 (0.46) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL9648880 | 0.88 | TRPA1 (0.46) | TRPA1ATMALDH1A1HPGDKDM4E | |
| Orthocresol SCHEMBL27628632 | 0.87 | TRPA1 (0.55) | TRPA1ATMALDH1A1HPGDKDM4E |
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 39 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10224485-B2 | Process for preparing a crystalline organic semiconductor material | BASF SE (DE) | 2019-03-05 | — | — | US | claimed |
| US-20240310341-A1 | COLORIMETRIC SENSOR AND ITS PREPARATION PROCEDURE | MATERIAS S.R.L. (IT) | 2024-09-19 | — | — | US | disclosed |
| EP-4288765-A1 | COLORIMETRIC SENSOR AND ITS PREPARATION PROCEDURE | Materias S.r.l. (IT) | 2023-12-13 | — | — | EP | disclosed |
| EP-3183250-B1 | PROCESS FOR PREPARING CRYSTALLINE ORGANIC SEMICONDUCTOR MATERIAL | CLAP CO LTD (KR) | 2023-10-04 | — | — | EP | disclosed |
| WO-2022167914-A1 | COLORIMETRIC SENSOR AND ITS PREPARATION PROCEDURE | MATERIAS S.R.L. (IT) | 2022-08-11 | — | — | WO | disclosed |
| EP-3183757-B1 | ORGANIC SEMICONDUCTOR COMPOSITION COMPRISING LIQUID MEDIUM | CLAP CO LTD (KR) | 2022-05-04 | — | — | EP | disclosed |
| CN-107004768-B | Organic semiconductor composition containing a liquid medium | 巴斯夫欧洲公司 | 2020-08-21 | — | — | CN | disclosed |
| CN-111060620-A | Method for analyzing and detecting effective components in spices | 上海微谱化工技术服务有限公司 | 2020-04-24 | — | — | CN | disclosed |
| US-10454037-B2 | Organic semiconductor composition comprising a liquid medium | BASF SE (DE) | 2019-10-22 | — | — | US | disclosed |
| US-10224485-B2 | Process for preparing a crystalline organic semiconductor material | BASF SE (DE) | 2019-03-05 | — | — | US | disclosed |
| US-5008442-A | Surface-active compounds on the basis of arylated fatty substances and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1991-04-16 | — | — | US | disclosed |
| US-4597906-A | Surface-active compounds on the basis of arylated fatty substances and their use | HOECHST AKTIENGESELLSCHAFT (DE) | 1986-07-01 | — | — | US | disclosed |
| US-4446039-A | Organic compositions containing hydroxy-aromatic compounds useful as additives for fuels and lubricants | THE LUBRIZOL CORPORATION (US) | 1984-05-01 | — | — | US | disclosed |
| EP-0031253-B1 | PROCESS FOR PREPARING 3,4-SUBSTITUTED BENZALDEHYDES | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1983-10-05 | — | — | EP | disclosed |
| US-4335263-A | MANY STEPS, STARTING WITH ACETYLATION OF M-CRESOL OR P-CRESOL | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1982-06-15 | — | — | US | disclosed |
| US-4333732-A | Dyestuff preparations containing oxalkylates of modified natural rosin acids | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-06-08 | — | — | US | disclosed |
| US-4312631-A | DISPERSANTS, EMULSIFIERS, WETTING AGENTS, ANIONIC SURFACTANTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1982-01-26 | — | — | US | disclosed |
| US-4297270-A | ETH- OR PROPOXYLATED ESTER DERIVATIVES; DISPERSANTS; EMULSIFIERS; WETTING AGENTS | HOECHST AKTIENGESELLSCHAFT (DE) | 1981-10-27 | — | — | US | disclosed |
| EP-0031253-A1 | Process for preparing 3,4-substituted benzaldehydes | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1981-07-01 | — | — | EP | disclosed |
| US-4230624-A | CYCLIZATION, BASIC CATALYSTS | AGENCE NATIONALE DE VALORISATION DE LA RECHERCHE (FR) | 1980-10-28 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-10454037-B2 | Organic semiconductor composition comprising a liquid medium | CRY1, NEFM, OR10J3 | ESR1 2229/4885ESR2 3650/4885TRPA1 14/4885 |
| US-10224485-B2 | Process for preparing a crystalline organic semiconductor material | STOM, SPOP, TTR | ESR1 3620/4885ESR2 4641/4885TRPA1 411/4885 |
“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.