Toluene

Toluene

SCHEMBL11219192

CCCCCC.Cc1ccccc1.ClCCl

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
LMNA P02545 1/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
HTT P42858 1/20 0.45
PCSK9 Q8NBP7 1/20 0.43
LTA4H P09960 2/20 0.41
SIGMAR1 Q99720 1/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
PAX8 Q06710 2/20 0.41
JAK2 O60674 1/20 0.41
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
DNM1 Q05193 1/20 0.39
TP53 P04637 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GPX4 P36969 1/20 0.39
MEN1 O00255 1/20 0.38
MAPK1 P28482 1/20 0.38

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 SCHEMBL6633969 0.98 TSHR (0.52) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL80497 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL27455870 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL27422075 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL2990240 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL10941851 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL18640410 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL6257976 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL1549759 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT
Toluene SCHEMBL4250303 0.92 TSHR (0.65) TSHRLMNAALOX12ACHEHTT

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200044163-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2020-02-06 US disclosed
US-10461260-B2 Organic electroluminescent materials and devices UNIVERSAL DISPLAY CORPORATION (US) 2019-10-29 US disclosed
US-20150349273-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2015-12-03 US disclosed
CN-1698924-A Solid phase micro extraction head and its preparation method UNIV WUHAN (CN) 2005-11-23 CN disclosed
US-4346076-A Bis-tetrazoylmethyl substituted cephalosporin antibiotics ELI LILLY AND COMPANY (US) 1982-08-24 US disclosed
US-4338452-A 1-and 2-(1-Alkyl-1H-tetrazol-5-yl-methyl)-1H-tetrazol-5-thiols and 1-cyanomethyl tetrazole-5-thiol ELI LILLY AND COMPANY (US) 1982-07-06 US disclosed
EP-0048167-A2 Bis-tetrazolemethyl thiols and their preparation ELI LILLY AND COMPANY (US) 1982-03-24 EP disclosed
US-4304774-A Bis-tetrazolmethyl substituted β-lactam antibiotics ELI LILLY AND COMPANY (US) 1981-12-08 US disclosed
US-4148795-A Dithiocarbamate ester bactericides and fungicides AMERICAN CYANAMID COMPANY (US) 1979-04-10 US disclosed
US-4038288-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-07-26 US disclosed
US-4011230-A DITHIOCARBAMATE ESTER BACTERICIDES AND FUNGICIDES AMERICAN CYANAMID COMPANY (US) 1977-03-08 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 (3 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-20150349273-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NME4, TERT, TERF2IP TSHR 3002/4885LMNA 3763/4885ALOX12 3472/4885
US-10461260-B2 Organic electroluminescent materials and devices NME4, TERT, TERF2IP TSHR 3002/4885LMNA 3763/4885ALOX12 3472/4885
US-20200044163-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES NME4, TERT, TERF2IP TSHR 3002/4885LMNA 3763/4885ALOX12 3472/4885

“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.