Toluene

Toluene

SCHEMBL5725705

CCN(CC)CC.CO.Cc1ccccc1

nearest known ligand 0.55

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.55
LMNA P02545 2/20 0.55
ALOX12 P18054 1/20 0.55
ACHE P22303 1/20 0.55
CHRM2 P08172 2/20 0.43
CHRM1 P11229 2/20 0.43
HTR1A P08908 1/20 0.43
ADRA2A P08913 1/20 0.43
DRD1 P21728 1/20 0.43
SLC6A2 P23975 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
OPRM1 P35372 1/20 0.43
DRD3 P35462 1/20 0.43
SLC6A3 Q01959 1/20 0.43
KCNH2 Q12809 1/20 0.43
ALDH1A1 P00352 3/20 0.41
KDM4E B2RXH2 1/20 0.41
MAPT P10636 1/20 0.41
AGTR1 P30556 1/20 0.41

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 SCHEMBL434566 0.95 TSHR (0.61) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL6659437 0.93 LMNA (0.52) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL28280046 0.92 TSHR (0.58) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL4266725 0.92 TSHR (0.58) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL3278606 0.92 LMNA (0.58) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL7694570 0.89 LMNA (0.48) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL18186092 0.89 ACHE (0.48) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL2022367 0.89 LMNA (0.48) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL6944293 0.89 LMNA (0.48) TSHRLMNAALOX12ACHECHRM2
Toluene SCHEMBL28762260 0.87 TSHR (0.46) TSHRLMNAALOX12ACHECHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210338697-A1 LYSOPHOSPHATIDYLCHOLINE COMPOSITIONS AKER BIOMARINE HUMAN INGREDIENTS AS (NO) 2021-11-04 US disclosed
US-11065267-B2 Lysophosphatidylcholine compositions AKER BIOMARINE ANTARCTIC AS (NO) 2021-07-20 US disclosed
US-20190201424-A1 LYSOPHOSPHATIDYLCHOLINE COMPOSITIONS AKER BIOMARINE HUMAN INGREDIENTS AS (NO) 2019-07-04 US disclosed
CN-103524401-B A kind of synthetic method of (2R, 4R)-4-methyl-2 piperidine carboxylic acid JIANGSU BAOZONG BAODA PHARMACEUTICAL CO.,LTD. (CN) 2016-01-20 CN disclosed
CN-103524401-A Synthetic method for (2R, 4R)-4-methyl-2-piperidinecarboxylic acid JIANGSU BAOZONG BAODA PHARMACEUTICAL CO LTD 2014-01-22 CN disclosed
EP-1705169-A2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators Hormos Medical Ltd. (FI) 2006-09-27 EP disclosed
EP-1235776-B1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORP (FI) 2006-02-08 EP disclosed
US-6875775-B2 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD (FI) 2005-04-05 US disclosed
US-20030225130-A1 Triphenylalkene derivatives and their use as selective estrogen receptor modulators HORMOS MEDICAL OY LTD. 2003-12-04 US disclosed
US-6576645-B1 Such as 3-(4-chloro-1-(4-(2-(2-hydroxyethoxy)ethoxy)phenyl)--2-phenylbut-1 -enyl)phenol; producing tissue specific estro-genic and/or antiestrogenic effect HORMOS MEDICAL OY LTD (FI) 2003-06-10 US disclosed
EP-1235776-A1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS Hormos Medical Corporation (FI) 2002-09-04 EP disclosed
WO-2001036360-A1 TRIPHENYLALKENE DERIVATIVES AND THEIR USE AS SELECTIVE ESTROGEN RECEPTOR MODULATORS HORMOS MEDICAL CORPORATION (FI) 2001-05-25 WO disclosed
US-4997842-A Antiarrhythmia WARNER-LAMBERT CO. (US) 1991-03-05 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-20030225130-A1 Triphenylalkene derivatives and their use as selective estrogen receptor modulators ESR2, ESR1, GPER1 TSHR 59/4885LMNA 4585/4885ALOX12 1674/4885

“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.