Toluene

Toluene

SCHEMBL1233802

CCOC(=O)CCCO.Cc1ccccc1

nearest known ligand 0.56

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.56
CYP4A11 Q02928 3/20 0.56
ALDH1A1 P00352 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
ALOX5 P09917 1/20 0.50
TOP2A P11388 2/20 0.49
CYP1A2 P05177 2/20 0.47
CYP3A4 P08684 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
LTA4H P09960 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
TNF P01375 1/20 0.45
POLB P06746 1/20 0.44
TBXAS1 P24557 1/20 0.44

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
Toluene SCHEMBL10779605 0.93 CYP4F2 (0.57) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL28096369 0.91 CYP4F2 (0.61) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL573822 0.89 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL11727486 0.89 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Benzene SCHEMBL10488289 0.89 CYP1A2 (0.57) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Chlorobenzene SCHEMBL7064663 0.87 CYP4F2 (0.54) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL28479130 0.86 CYP4F2 (0.56) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL4749551 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL28845143 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5
Toluene SCHEMBL6270207 0.85 CYP4F2 (0.55) CYP4F2CYP4A11ALDH1A1SMN1; SMN2ALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117368391-A Quality detection method for uniflower swisscentaury root formula particles 长沙新林制药有限公司 2024-01-09 CN claimed
US-11968889-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-04-23 US disclosed
US-20240057474-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2024-02-15 US disclosed
CN-117368391-A Quality detection method for uniflower swisscentaury root formula particles 长沙新林制药有限公司 2024-01-09 CN disclosed
CN-110003088-B Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2022-07-15 CN disclosed
US-20210328145-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-10-21 US disclosed
US-11043637-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-06-22 US disclosed
US-10897012-B2 Light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2021-01-19 US disclosed
CN-103570607-B Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device 株式会社半导体能源研究所 2020-04-24 CN disclosed
US-10355219-B2 Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2019-07-16 US disclosed
US-4668791-A HYPOTENSIVE, ALDEHYDES HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1987-05-26 US disclosed
US-4579950-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-04-01 US disclosed
US-4577026-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-03-18 US disclosed
US-4569998-A HYPOTENSIVE AGENTS HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1986-02-11 US disclosed
US-4521537-A ANALGESICS HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1985-06-04 US disclosed
US-4472580-A Spiro (2H-1,4-benzodioxepin-3 (5H)4-piperidine and -3-pyrrolidine) compounds and their use as anti-hypertensive agents HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-09-18 US disclosed
US-4467101-A CEPHALOSPORIN PRECURSORS CIBA-GEIGY CORPORATION (US) 1984-08-21 US disclosed
EP-0102034-A1 Spiro(2H-1,4-benzodioxepin-3(5H)4'-piperidine and 3'-pyrrolidino) compounds, a process for preparing the same and their use as medicaments HOECHST-ROUSSEL PHARMACEUTICALS INCORPORATED (US) 1984-03-07 EP disclosed
US-4405631-A Spiro[2H-1,4-benzodioxepin-3(5H)4'-piperidine and -3'pyrrolidine] compounds and their use as antihypertensive agents HOECHST-ROUSSEL PHARMACEUTICALS INC. (US) 1983-09-20 US disclosed
US-4374134-A Cephalosporin compounds with terminal aminocarboxylic acid groupings and anti-bacterial use thereof CIBA-GEIGY CORPORATION (US) 1983-02-15 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 (6 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-10897012-B2 Light-emitting element, light-emitting device, electronic device, and lighting device NR2E3, GRK1, ARL1 CYP4F2 736/4885CYP4A11 2532/4885ALDH1A1 58/4885
US-20210328145-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE NR2E3, GRK1, ARL1 CYP4F2 736/4885CYP4A11 2532/4885ALDH1A1 58/4885
US-20240057474-A1 LIGHT-EMITTING ELEMENT, LIGHT-EMITTING DEVICE, ELECTRONIC DEVICE, AND LIGHTING DEVICE NR2E3, GRK1, ARL1 CYP4F2 736/4885CYP4A11 2532/4885ALDH1A1 58/4885
US-11043637-B2 Light-emitting element, light-emitting device, electronic device, and lighting device NR2E3, GRK1, ARL1 CYP4F2 736/4885CYP4A11 2532/4885ALDH1A1 58/4885
US-11968889-B2 Light-emitting element, light-emitting device, electronic device, and lighting device NR2E3, GRK1, TRPC3 CYP4F2 908/4885CYP4A11 2339/4885ALDH1A1 46/4885
US-10355219-B2 Organic compound, light-emitting element, light-emitting device, electronic device, and lighting device ARNT, NR2E3, CCNT1 CYP4F2 479/4885CYP4A11 1395/4885ALDH1A1 42/4885

“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.