Toluene

Toluene

SCHEMBL735933

C1CCOOC1.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.58
TSHR P16473 3/20 0.58
LMNA P02545 2/20 0.58
ALOX12 P18054 1/20 0.58
ORAI1 Q96D31 5/20 0.41
ORAI2 Q96SN7 5/20 0.41
ORAI3 Q9BRQ5 5/20 0.41
TRPV6 Q9H1D0 5/20 0.41
HPGD P15428 3/20 0.37
NPC1 O15118 3/20 0.35
RAB9A P51151 3/20 0.35
POLB P06746 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NFKB1 P19838 2/20 0.35
NFKB2 Q00653 2/20 0.35
RELA Q04206 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
CA12 O43570 1/20 0.33

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 SCHEMBL4779666 0.95 LMNA (0.52) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL4734054 0.93 LMNA (0.50) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL1308696 0.89 LMNA (0.46) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL9640890 0.84 LMNA (0.58) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL9640920 0.84 LMNA (0.58) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL190031 0.84 LMNA (0.58) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL27542416 0.84 LMNA (0.58) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL5070511 0.82 LMNA (0.55) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL7754116 0.82 LMNA (0.55) ACHETSHRLMNAALOX12ORAI1
Toluene SCHEMBL7754119 0.82 LMNA (0.55) ACHETSHRLMNAALOX12ORAI1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12043643-B2 Vaccine against klebsiella pneumoniae IDORSIA PHARMACEUTICALS LTD (CH) 2024-07-23 US disclosed
WO-2024121280-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-13 WO disclosed
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE ONCOLOGY LIMITED (IN) 2024-05-14 US disclosed
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2023-08-24 US disclosed
US-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors AURIGENE DISCOVERY TECHNOLOGIES LIMITED (IN) 2023-07-04 US disclosed
US-20230122752-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-20 US disclosed
WO-2023036976-A1 MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2023-03-16 WO disclosed
US-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE IDORSIA PHARMACEUTICALS LTD (CH) 2023-02-16 US disclosed
US-11479574-B2 Vaccine against Klebsiella pneumoniae IDORSIA PHARMACEUTICALS LTD (CH) 2022-10-25 US disclosed
US-11342507-B2 Coating composition comprising compound, and organic light emitting device comprising same LG CHEM, LTD. 2022-05-24 US disclosed
US-4704460-A LEUKOCYTES IN URINE MILES LABORATORIES, INC. (US) 1987-11-03 US disclosed
US-4657855-A DIP-AND-READ, UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-04-14 US disclosed
US-4645842-A DETECTING LEUKOCYTES TO INDICATE KIDNEY OR UROGENITAL DISORDERS MILES LABORATORIES, INC. (US) 1987-02-24 US disclosed
US-4637979-A Composition and test device for determining the presence of leukocytes containing a zwitterion coupling agent MILES LABORATORIES, INC. (US) 1987-01-20 US disclosed
EP-0158226-A2 Method of synthesizing esters MILES INC. (US) 1985-10-16 EP disclosed
EP-0158204-A2 Composition and test device for determining the presence of leukocytes, containing a zwitterion coupling agent MILES INC. (US) 1985-10-16 EP disclosed
EP-0157327-A2 Novel compounds for detecting the presence of hydrolytic analytes in a test sample MILES INC. (US) 1985-10-09 EP disclosed
EP-0157326-A2 Composition and test device for determining the presence of leukocytes, esterase and protease in a test sample MILES INC. (US) 1985-10-09 EP disclosed
US-4526933-A Polymeric active methylene compounds, their preparation and their use in azo polymers DYNAPOL (US) 1985-07-02 US disclosed
US-4489197-A SUPPLYING DRUGS TO LOWER BOWEL DYNAPOL (US) 1984-12-18 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 (8 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-11691987-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ACHE 3998/4885TSHR 4367/4885LMNA 1021/4885
US-20230045939-A1 STABLE VACCINE AGAINST CLOSTRIDIUM DIFFICILE DDOST, SI, CD4 ACHE 2920/4885TSHR 3529/4885LMNA 4672/4885
US-11981685-B2 Bicyclic heterocyclyl derivatives as IRAK4 inhibitors IRAK4, IRAK3, IRAK1 ACHE 3917/4885TSHR 4307/4885LMNA 863/4885
US-20230265103-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 ACHE 2468/4885TSHR 3316/4885LMNA 4521/4885
US-11479574-B2 Vaccine against Klebsiella pneumoniae SLC11A2, OSTC, STT3A ACHE 1214/4885TSHR 4421/4885LMNA 4373/4885
US-11342507-B2 Coating composition comprising compound, and organic light emitting device comprising same CRY1, OR10J3, COPB2 ACHE 520/4885TSHR 4707/4885LMNA 2562/4885
US-12043643-B2 Vaccine against klebsiella pneumoniae SLC11A2, OSTC, STT3A ACHE 1214/4885TSHR 4421/4885LMNA 4373/4885
US-20230122752-A1 VACCINE AGAINST KLEBSIELLA PNEUMONIAE SLC11A2, OSTC, STT3A ACHE 1214/4885TSHR 4421/4885LMNA 4373/4885

“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.