Toluene

Toluene

SCHEMBL8635446

CCCCCC.CO.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.58
TSHR P16473 1/20 0.58
ALOX12 P18054 1/20 0.58
ACHE P22303 1/20 0.58
PCSK9 Q8NBP7 1/20 0.50
HTT P42858 1/20 0.46
CES2 O00748 3/20 0.45
CES1 P23141 3/20 0.45
PTGS2 P35354 1/20 0.43
NAAA Q02083 1/20 0.42
LIPG Q9Y5X9 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
LTA4H P09960 1/20 0.42

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
Heptane SCHEMBL3728317 0.97 LMNA (0.55) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL8981699 0.95 LMNA (0.52) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL8915044 0.95 LMNA (0.52) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL6257976 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL1549759 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL10941851 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL2990240 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL18640410 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL80497 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9
Toluene SCHEMBL27455870 0.95 TSHR (0.65) LMNATSHRALOX12ACHEPCSK9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4160084-A Method for the separation of antibiotic macrolides MERCK & CO., INC. (US) 1979-07-03 US claimed
US-10752650-B2 Sophorolipid compound and composition comprising same SARAYA CO., LTD. (JP) 2020-08-25 US disclosed
CN-1951427-A Quality control method of a pharmaceutical composition BEIJING QI YUAN YI PHARM RES (CN) 2007-04-25 CN disclosed
CN-1951417-A Quality control method of a pharmaceutical composition BEIJING QI YUAN YI PHARM RES (CN) 2007-04-25 CN disclosed
CN-1077892-C Oxazolone derivatives and their use as anti-helicobacter pylori agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2002-01-16 CN disclosed
CN-1230958-A Oxazolone derivatives and their use as anti-helicobacter pylori agents TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1999-10-06 CN disclosed
US-5789520-A POLYAMIDOAMINE CURING AGENT FOR EPOXY RESINS MITSUI CHEMICALS, INC. (JP) 1998-08-04 US disclosed
EP-0409399-B1 3-keto HMG-COA reductase inhibitors MERCK & CO INC (US) 1996-03-13 EP disclosed
US-5494893-A ANTITUMOR AGENTS ARIZONA BOARD OF REGENTS, A BODY CORPORATE ACTING ON BEHALF OF ARIZONA STATE UNIVERSITY (US) 1996-02-27 US disclosed
EP-0331250-B1 Antihypercholesterolemic agents MERCK & CO INC (US) 1994-04-13 EP disclosed
US-RE32006-E ANTIPARASITIC, ANTHELMINTIC, INSECTICIDAL AND ACARICIDAL AGENTS MERCK & CO., INC. (US) 1985-10-15 US disclosed
EP-0109811-A2 Bryozoan antibiotics ARIZONA BOARD OF REGENTS (US) 1984-05-30 EP disclosed
US-4412991-A ANTHELMINTICS, MITICIDES, INSECTICIDES, NEMATOCIDES, ANTIBIOTICS MERCK & CO., INC. (US) 1983-11-01 US disclosed
US-4387242-A Hypocholesterolemic fermentation products and process of preparation MERCK & CO., INC. (US) 1983-06-07 US disclosed
US-4376863-A ANTICHOLESTEROL, ANTILIPEMIC AGENTS, FUNGICIDES MERCK & CO., INC. (US) 1983-03-15 US disclosed
EP-0073660-A1 Novel derivatives of C-076 compounds, their production and use, and compositions containing them MERCK & CO. INC. (US) 1983-03-09 EP disclosed
US-4201861-A Acyl derivatives of C-076 compounds MERCK & CO., INC. (US) 1980-05-06 US disclosed
US-4199569-A ANTHELMINTIC MACROLIDES MERCK & CO., INC. (US) 1980-04-22 US disclosed
US-4171314-A INSECTICIDES, MITICIDES, PARASITICIDES, ANTHELMINTICS MERCK & CO., INC. (US) 1979-10-16 US disclosed
US-4160084-A Method for the separation of antibiotic macrolides MERCK & CO., INC. (US) 1979-07-03 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 (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.

PatentTitleText reads most aboutPredicted target · text-rank
US-10752650-B2 Sophorolipid compound and composition comprising same MGLL, LPL, FADS1 LMNA 1417/4885TSHR 2158/4885ALOX12 59/4885

“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.