Sugi Predict

Sugi Predict / Compounds / Toluene

Toluene

Toluene

SCHEMBL4008030

CCC(C)O.Cc1ccccc1

nearest known ligand 0.55

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.55
▸ TSHR P16473 3/20 0.55
▸ ALOX12 P18054 1/20 0.55
▸ ACHE P22303 1/20 0.55
▸ TRPA1 O75762 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.41
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ AOC3 Q16853 1/20 0.38
▸ ADRA2A P08913 1/20 0.38
▸ ADRA2C P18825 1/20 0.38
▸ CES2 O00748 1/20 0.38
▸ CES1 P23141 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ GRIN1 Q05586 3/20 0.38
▸ GRIN2A Q12879 3/20 0.38
▸ GRIN2D O15399 2/20 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
Toluene SCHEMBL29085727 0.98 LMNA (0.52) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL11299292 0.85 LMNA (0.55) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL4803839 0.85 LMNA (0.55) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL8151758 0.84 LMNA (0.61) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL5025517 0.84 LMNA (0.61) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL8159259 0.84 LMNA (0.61) LMNATSHRALOX12ACHETRPA1
Toluene SCHEMBL50431 0.84 LMNA (0.69) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL27917897 0.84 LMNA (0.69) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL28086966 0.84 LMNA (0.69) LMNATSHRALOX12ACHEALDH1A1
Toluene SCHEMBL14637534 0.83 LMNA (0.52) LMNATSHRALOX12ACHEALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114575145-A Preparation method of waste fabric fiber-based multifunctional protective fabric 陕西科技大学 2022-06-03 — — CN claimed
JP-4353501-A — — None — — JP disclosed
CN-114575145-A Preparation method of waste fabric fiber-based multifunctional protective fabric 陕西科技大学 2022-06-03 — — CN disclosed
CN-107922678-A DILITHIUM INITIATORS 飞纳技术有限公司 2018-04-17 — — CN disclosed
CN-105683172-B Process for producing terephthalic acid 埃克森美孚化学专利公司 2017-12-15 — — CN disclosed
US-9302971-B2 Process to produce terephthalic acid EXXONMOBIL CHEMICAL PATENTS INC. (US) 2016-04-05 — — US disclosed
US-20150126772-A1 Process to Produce Terephthalic Acid EXXONMOBIL CHEMICAL PATENTS INC. 2015-05-07 — — US disclosed
EP-2032550-B1 CATALYTIC PROCESS FOR PRODUCING FURAN DERIVATIVES FROM CARBOHYDRATES IN A BIPHASIC REACTOR WISCONSIN ALUMNI RES FOUND (US) 2013-11-20 — — EP disclosed
US-7572925-B2 Catalytic process for producing furan derivatives in a biphasic reactor WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2009-08-11 — — US disclosed
EP-2032550-A1 CATALYTIC PROCESS FOR PRODUCING FURAN DERIVATIVES FROM CARBOHYDRATES IN A BIPHASIC REACTOR Wisconsin Alumini Research Foundation (US) 2009-03-11 — — EP disclosed
US-6596903-B2 Ring opening 4-(2-amino-1-hydroxyethyl)oxazoline by reaction with organic mercaptan; stereospecific; human immunodeficiency virus protease inhibitors JAPAN TOBACCO INC. (JP) 2003-07-22 — — US disclosed
US-20030040633-A1 Methods for producing amide derivative INABA TAKASHI (JP) 2003-02-27 — — US disclosed
US-6476232-B2 ACETALATING OR KETALATING (Z)-2-BUTENE-1,4-DIOL, EPOXIDATION TO 3,5,8-TRIOXABICYCLO(5.1.0)OCTANE DERIVATIVE, RING-OPENING WITH CHIRAL AMINE; HIV PROTEASE INHIBITORS; INTERMEDIATES FOR PRODUCING X-RAY CONTRAST MEDIA JAPAN TOBACCO INC. (JP) 2002-11-05 — — US disclosed
US-20020049337-A1 4-(2-AMINO-1-HYDROXYETHYL)OXAZOLINE DERIVATIVE AND METHOD FOR PRODUCING SAME INABA TAKASHI (JP) 2002-04-25 — — US disclosed
US-6333416-B2 (Oxazolin-4-yl) oxirane derivative JAPAN TOBACCO INC. (JP) 2001-12-25 — — US disclosed
US-20010021782-A1 Production of amide derivatives and intermediates therefor INABA TAKASHI (JP) 2001-09-13 — — US disclosed
US-6252085-B1 OXAZOLINE DERIVATIVE JAPAN TOBACCO INC. (JP) 2001-06-26 — — US disclosed
US-6133461-A Process for producing amide derivatives and intermediates therefor JAPAN TOBACCO INC. (JP) 2000-10-17 — — US disclosed
EP-0983999-A1 PROCESS FOR PRODUCING AMIDE DERIVATIVES AND INTERMEDIATES Japan Tobacco Inc. (JP) 2000-03-08 — — EP disclosed
JP-H04353501-A PRODUCTION OF POLYHYDROXYALKYL METHACRYLATE RESIN GRANULES FUJIKURA KASEI CO LTD 1992-12-08 — — JP 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-20020049337-A1 4-(2-AMINO-1-HYDROXYETHYL)OXAZOLINE DERIVATIVE AND METHOD FOR PRODUCING SAME XDH, XPNPEP1, PEPD LMNA 2818/4885TSHR 4559/4885ALOX12 4073/4885
US-20150126772-A1 Process to Produce Terephthalic Acid TREH, SORD, FBP1 LMNA 4494/4885TSHR 2043/4885ALOX12 358/4885
US-20030040633-A1 Methods for producing amide derivative XDH, PEPD, XPNPEP1 LMNA 2171/4885TSHR 3919/4885ALOX12 3885/4885
US-20010021782-A1 Production of amide derivatives and intermediates therefor XDH, CYP51A1, FURIN LMNA 2958/4885TSHR 4069/4885ALOX12 1745/4885

“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.