Toluene

Toluene

SCHEMBL1243215

CC(=O)Cc1ccc(C)cc1.Cc1ccccc1.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.58
▸ TDP1 Q9NUW8 1/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ CTBP2 P56545 1/20 0.52
▸ KMT2A Q03164 4/20 0.51
▸ MEN1 O00255 3/20 0.51
▸ CNR1 P21554 1/20 0.49
▸ CNR2 P34972 1/20 0.49
▸ LMNA P02545 3/20 0.47
▸ POLB P06746 1/20 0.47
▸ NPC1 O15118 3/20 0.47
▸ RAB9A P51151 3/20 0.47
▸ CES2 O00748 2/20 0.47
▸ CES1 P23141 2/20 0.47
▸ AKR1B1 P15121 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ PSMB5 P28074 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 2/20 0.46

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 SCHEMBL249639 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL249116 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL249049 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL251831 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL299997 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL9462510 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL8940231 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL1143384 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL16053153 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A
Toluene SCHEMBL2053140 1.00 L3MBTL1 (0.58) L3MBTL1TDP1SMN1; SMN2CTBP2KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2020-08-06 — — US disclosed
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2019-03-14 — — US disclosed
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof GEORGETOWN UNIVERSITY (US) 2019-01-08 — — US disclosed
US-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2018-08-02 — — US disclosed
WO-2017023916-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF GEORGETOWN UNIVERSITY (US) 2017-02-09 — — WO disclosed
EP-2488601-B1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT RICOH CO LTD (JP) 2016-09-28 — — EP disclosed
EP-2488601-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT Ricoh Company, Limited (JP) 2012-08-22 — — EP disclosed
EP-2464667-A2 N-ACYLATED OCTASACCHARIDES ACTIVATING FGFS RECEPTORS, THEIR SYNTHESIS AND THEIR THERAPEUTICAL APPLICATION SANOFI (FR) 2012-06-20 — — EP disclosed
EP-2464359-A2 N-SULFATED OLIGOSACCHARIDES ACTIVATING FGFS RECEPTORS, THEIR SYNTHESIS AND THEIR THERAPEUTICAL APPLICATION SANOFI (FR) 2012-06-20 — — EP disclosed
WO-2011046222-A1 ELECTROCHROMIC COMPOUND, ELECTROCHROMIC COMPOSITION, AND DISPLAY ELEMENT RICOH COMPANY, LTD. (JP) 2011-04-21 — — WO disclosed
US-5096897-A Antiallergens, antiischemic agents, treatment of asthma BAYER AKTIENGESELLSCHAFT (DE) 1992-03-17 — — US disclosed
EP-0277676-B1 NEW LL-ARYL STEROID DERIVATIVES AKZO N.V. (NL) 1992-03-04 — — EP disclosed
US-5039670-A Anticoagulants, antiasthma, antiallergens BAYER AKTIENGESELLSCHAFT (DE) 1991-08-13 — — US disclosed
US-4943568-A Cephalosporins BAYER AKTIENGESELLSCHAFT (DE) 1990-07-24 — — US disclosed
CN-1036774-A 9 alpha-hydroxy-17-methylene steroids, their preparation and their use in the preparation of corticosteroids GIST BROCADES NV (NL) 1989-11-01 — — CN disclosed
WO-1989009781-A1 9-ALPHA-HYDROXY-17-METHYLENE STEROIDS, THEIR PREPARATION AND UTILIZATION GIST-BROCADES N.V. (NL) 1989-10-19 — — WO disclosed
EP-0336521-A1 9-Alpha-hydroxy-17-methylene steroids, process for their preparation and their use in the preparation of corticosteroids ROUSSEL-UCLAF (FR) 1989-10-11 — — EP disclosed
EP-0277676-A1 New ll-aryl steroid derivatives AKZO N.V. (NL) 1988-08-10 — — EP disclosed
CN-87106868-A 9-alpha-hydroxy steroids, process for their preparation, corresponding 9(11) -dehydro derivatives and pharmaceutical compositions containing them ROUSSEL UCLAF (FR) 1988-04-27 — — CN disclosed
EP-0263569-A2 9-alpha-hydroxysteroids, process for their preparation and process for the preparation of the corresponding 9(11)-dehydro-derivatives. ROUSSEL-UCLAF (FR) 1988-04-13 — — EP 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-20180215712-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT L3MBTL1 4524/4885TDP1 3192/4885SMN1; SMN2 4871/4885
US-20190077755-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT L3MBTL1 4524/4885TDP1 3192/4885SMN1; SMN2 4871/4885
US-20200247751-A1 SMALL MOLECULE ANDROGEN RECEPTOR INHIBITORS AND METHODS OF USE THEREOF AR, KLK3, BRDT L3MBTL1 4524/4885TDP1 3192/4885SMN1; SMN2 4871/4885
US-10173978-B2 Small molecule androgen receptor inhibitors and methods of use thereof AR, KLK3, BRDT L3MBTL1 4524/4885TDP1 3192/4885SMN1; SMN2 4871/4885

“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.

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