Toluene

Toluene

SCHEMBL585499

CCCC(=O)O.Cc1ccccc1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.59
HDAC1 Q13547 2/20 0.59
HDAC2 Q92769 2/20 0.59
HDAC8 Q9BY41 2/20 0.59
FFAR3 O14843 1/20 0.59
KMT2A Q03164 2/20 0.50
CES2 O00748 2/20 0.50
CES1 P23141 2/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
ALOX12 P18054 1/20 0.50
ACHE P22303 1/20 0.50
L3MBTL1 Q9Y468 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
HPGD P15428 1/20 0.47
KEAP1 Q14145 1/20 0.46
ALOX5 P09917 1/20 0.46
TP53 P04637 1/20 0.46
MEN1 O00255 1/20 0.45
NPC1 O15118 1/20 0.45

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 SCHEMBL4678985 0.98 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL3080065 0.98 HDAC3 (0.56) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL9192760 0.96 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL13583770 0.96 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL3860952 0.96 HDAC3 (0.54) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL6287569 0.94 FFAR3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL27302377 0.94 FFAR3 (0.52) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL9784657 0.92 FFAR3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
Toluene SCHEMBL11115673 0.92 FFAR3 (0.50) HDAC3HDAC1HDAC2HDAC8FFAR3
P-Xylene SCHEMBL28135735 0.91 FFAR3 (0.65) HDAC3HDAC1HDAC2HDAC8FFAR3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023067617-A1 A PROCESS FOR THE PREPARATION OF TETRAHYDROANTHRACENES FROM STREPTOMYCES SPP. AND ANTICANCER ACTIVITY THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-04-27 WO claimed
US-10080717-B2 Composition of hair oil for stimulation of hair growth, control of hairfall, dandruff and infections thereof INDFRAG BIOSCIENCES INC. (US) 2018-09-25 US claimed
EP-1964836-A2 A process for the preparation of perindopril erbumine in alpha crystalline form IPCA Laboratories Limited (IN) 2008-09-03 EP claimed
US-20080183011-A1 Process for preparation of perindopril erbumine in alpha crystalline form IPCA LABORATORIES LIMITED 2008-07-31 US claimed
EP-4196486-B1 METAL COMPLEXES UDC IRELAND LTD (IE) 2025-07-09 EP disclosed
EP-4387950-A1 USE OF 1-(4- TERT- BUTYL CYCLOHEXYL) PROPYL ACETATE AS AROMA INGREDIENT BASF SE (DE) 2024-06-26 EP disclosed
CN-114981253-B Process and intermediates for preparing chroman compounds and methods therefor 印度鲁宾有限公司 2024-06-18 CN disclosed
CN-117157110-A PSMA targeting ligands for multimodal applications 荷兰拉德堡德大学学术医学中心 2023-12-01 CN disclosed
EP-4196486-A1 METAL COMPLEXES Merck Patent GmbH (DE) 2023-06-21 EP disclosed
WO-2023067617-A1 A PROCESS FOR THE PREPARATION OF TETRAHYDROANTHRACENES FROM STREPTOMYCES SPP. AND ANTICANCER ACTIVITY THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-04-27 WO disclosed
EP-3512841-B1 COMPOUNDS WITH SPIROBIFLUORENE-STRUCTURES MERCK PATENT GMBH (DE) 2023-04-26 EP disclosed
EP-3752512-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2023-03-01 EP disclosed
US-4052387-A METHOD OF PREPARATION OF 3-METHYLENECEPHAMS ELI LILLY AND COMPANY (US) 1977-10-04 US disclosed
US-4016161-A Amino-substituted 1,2,3,4,10,146-hexahydro-pyridino[1,2-a]dibenzo[c,f]azepines AKZONA INCORPORATED (US) 1977-04-05 US disclosed
US-4013682-A N-HYDROXY-AMIDINE COMPOUNDS AKZONA INCORPORATED (US) 1977-03-22 US disclosed
US-4012380-A 7-Acylamino-3-acyl-2(or 3)cephems ELI LILLY AND COMPANY (US) 1977-03-15 US disclosed
US-3978126-A N-HYDROXY-AMIDINE COMPOUNDS AKZONA INCORPORATED (US) 1976-08-31 US disclosed
US-3972906-A Novel - 11-substituted steroids of the estrane series AKZONA INCORPORATED (US) 1976-08-03 US disclosed
US-3966723-A 1,2,3,4,10,14B-Hexahydro-pyridino[1,2-a]-dibenzo[c,f]-azepine AKZONA INCORPORATED (US) 1976-06-29 US disclosed
US-3965114-A Imidazolidine derivatives AKZONA INCORPORATED (US) 1976-06-22 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-20080183011-A1 Process for preparation of perindopril erbumine in alpha crystalline form ACE, REN, ADH1C HDAC3 816/4885HDAC1 734/4885HDAC2 1729/4885

“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.