Toluene

Toluene

SCHEMBL2490583

CCCCCCc1ccc(C)cc1.Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.57
ALDH1A1 P00352 3/20 0.57
ESR1 P03372 2/20 0.57
ADRA2A P08913 2/20 0.57
ADORA3 P0DMS8 2/20 0.57
TACR2 P21452 2/20 0.57
SLC6A2 P23975 2/20 0.57
SLC6A4 P31645 2/20 0.57
SLC6A3 Q01959 2/20 0.57
KDM4E B2RXH2 1/20 0.57
LMNA P02545 1/20 0.57
SHBG P04278 1/20 0.57
TP53 P04637 1/20 0.57
CYP3A4 P08684 1/20 0.57
HSPD1 P10809 1/20 0.57
ADRB3 P13945 1/20 0.57
HTR2C P28335 1/20 0.57
HSPE1 P61604 1/20 0.57
HIF1A Q16665 1/20 0.57
TST Q16762 1/20 0.57

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 SCHEMBL6856351 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8592478 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL18334412 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL3864993 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL16863683 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL459639 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL8638308 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL461437 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL3842230 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3
Toluene SCHEMBL1934541 1.00 HTR2A (0.57) HTR2AALDH1A1ESR1ADRA2AADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11968893-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2024-04-23 US disclosed
CN-116964176-A Compound, liquid crystal composition, and liquid crystal display element, sensor, liquid crystal lens, optical communication device, and antenna using same DIC株式会社 2023-10-27 CN disclosed
US-20220216422-A1 Electroluminescent Device UDC IRELAND LTD (IE) 2022-07-07 US disclosed
US-20180269403-A1 ELECTROLUMINESCENT DEVICE UDC IRELAND LTD (IE) 2018-09-20 US disclosed
US-9923148-B2 Electroluminescent device UDC IRELAND LIMITED (IE) 2018-03-20 US disclosed
US-20170194568-A9 Electroluminescent Device UDC IRELAND LIMITED (IE) 2017-07-06 US disclosed
EP-2772483-B1 4-AMINOCARBAZOLE COMPOUND AND USE OF SAME TOSOH CORP (JP) 2017-03-29 EP disclosed
EP-1598879-B1 LUMINESCENCE DEVICE, DISPLAY APPARATUS AND METAL COORDINATION COMPOUND CANON KK (JP) 2015-12-02 EP disclosed
US-9172045-B2 4-aminocarbazole compound and use thereof TOSOH CORPORATION (JP) 2015-10-27 US disclosed
US-20140296519-A1 4-AMINOCARBAZOLE COMPOUND AND USE THEREOF TOSOH CORPORATION (JP) 2014-10-02 US disclosed
CN-1019390-B GLUTARIMIDE ANTIANXIETY AND ARTIHYPERTENSIVE AGENTS MERRELL DOW PHARMA (US) 1992-12-09 CN disclosed
US-5109006-A Anorexogenic agents, analgesics, psychological disorders MERRELL DOW PHARMACEUTICALS INC. (US) 1992-04-28 US disclosed
EP-0416946-A2 Optically active naphthalene derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-03-13 EP disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed
EP-0375819-A1 Novel derivatives of 1,7'-[imidazo-[1,2-a]pyridine]5'-(6'H)ones MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-04 EP disclosed
EP-0375536-A1 Derivatives of 1,7'-(imidazo-(1,2-a)pyridine) 5'-(6'H) ones and process for their preparation MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-27 EP disclosed
EP-0170213-B1 GLUTARIMIDE ANTIANXIETY AND ANTIHYPERTENSIVE AGENTS MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-10 EP disclosed
CN-85106560-A The preparation of glutarimide anxiety and antihypertensive drug 1987-03-18 CN disclosed
US-4612312-A Glutarimide antianxiety and antihypertensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1986-09-16 US disclosed
EP-0170213-A1 Glutarimide antianxiety and antihypertensive agents MERRELL DOW PHARMACEUTICALS INC. (US) 1986-02-05 EP 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 (4 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-20180269403-A1 ELECTROLUMINESCENT DEVICE PNPO, ODC1, AXL HTR2A 3056/4885ALDH1A1 436/4885ESR1 805/4885
US-20220216422-A1 Electroluminescent Device PNPO, ODC1, AXL HTR2A 3056/4885ALDH1A1 436/4885ESR1 805/4885
US-20170194568-A9 Electroluminescent Device DPYD, PNPO, TYMP HTR2A 1881/4885ALDH1A1 403/4885ESR1 653/4885
US-11968893-B2 Electroluminescent device PNPO, ODC1, AXL HTR2A 3056/4885ALDH1A1 436/4885ESR1 805/4885

“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.