Toluene

Toluene

SCHEMBL7309310

CC(C)(C)OO.Cc1ccccc1

nearest known ligand 0.58

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.58
ACHE P22303 3/20 0.58
LMNA P02545 1/20 0.58
ALOX12 P18054 1/20 0.58
ALDH1A1 P00352 6/20 0.52
ALOX15 P16050 1/20 0.52
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
TDP1 Q9NUW8 3/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPK1 P28482 1/20 0.39
HPGD P15428 1/20 0.37
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
ESR1 P03372 3/20 0.34
ESR2 Q92731 3/20 0.34
CYP3A4 P08684 1/20 0.34
CNR1 P21554 2/20 0.34

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 SCHEMBL719989 0.81 ACHE (0.61) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL6431364 0.81 ACHE (0.61) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL28143362 0.81 TSHR (0.61) TSHRACHELMNAALOX12ALDH1A1
O-Xylene SCHEMBL28814081 0.81 ACHE (0.56) TSHRACHEALDH1A1ALOX15TDP1
Toluene SCHEMBL2077221 0.80 ACHE (0.69) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL9622812 0.80
Tert-Butyl Hydroperoxide SCHEMBL309338 0.80 ALDH1A1 (0.75) TSHRALDH1A1ALOX15TDP1HSD17B10
Toluene SCHEMBL27883778 0.80 ACHE (0.92) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL6068472 0.79 ACHE (0.58) TSHRACHELMNAALOX12ALDH1A1
Toluene SCHEMBL11594422 0.79 TSHR (0.58) TSHRACHELMNAALOX12ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109628049-A A kind of anisotropy conductiving glue sticks agent and its conductive film 深圳市华星光电技术有限公司 2019-04-16 CN claimed
CN-114628714-B Composite bipolar plate and preparation process thereof 江苏国氢氢能源科技有限公司 2023-04-04 CN disclosed
CN-114628714-A Composite bipolar plate and preparation process thereof 江苏国氢氢能源科技有限公司 2022-06-14 CN disclosed
CN-109628049-A A kind of anisotropy conductiving glue sticks agent and its conductive film 深圳市华星光电技术有限公司 2019-04-16 CN disclosed
EP-2837629-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LABORATORIES (TIANJIN) CO LTD (CN) 2017-03-22 EP disclosed
EP-2837630-B1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE ASYMCHEM LAB TIANJIN CO LTD (CN) 2016-11-23 EP disclosed
US-9371326-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-21 US disclosed
US-9365573-B2 Method for synthesizing sapropterin dihydrochloride ASYMCHEM LABORATORIES (TIANJIN) CO., LTD (CN) 2016-06-14 US disclosed
US-20150119573-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-30 US disclosed
US-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE TIANJIN ASYMCHEM PHARMACEUTICAL CO., LTD (CN) 2015-04-16 US disclosed
EP-2837630-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2015-02-18 EP disclosed
EP-2837629-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2015-02-18 EP disclosed
US-5506256-A PREVENTION AND/OR TREATMENT OF DEMENTIA, AMNESIA YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1996-04-09 US disclosed
EP-0468469-A2 Proline derivatives Japan Tobacco Inc. (JP) 1992-01-29 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 (2 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-20150105555-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE CYP51A1, DHCR7, LSS TSHR 3773/4885ACHE 189/4885LMNA 4441/4885
US-20150119573-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE DHCR7, CYP51A1, HMGCR TSHR 3184/4885ACHE 66/4885LMNA 2705/4885

“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.