SCHEMBL621606

SCHEMBL621606

C=C(CCC)OS(=O)(=O)c1ccc(C)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
KMT2A Q03164 4/20 0.40
GAA P10253 3/20 0.40
MEN1 O00255 2/20 0.40
ESR1 P03372 1/20 0.40
ESR2 Q92731 1/20 0.40
F2 P00734 2/20 0.39
PRSS1 P07477 2/20 0.39
PRSS2 P07478 2/20 0.39
PRSS3 P35030 2/20 0.39
G6PD P11413 1/20 0.39
CA2 P00918 3/20 0.38
CA1 P00915 2/20 0.38
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP9 P14780 1/20 0.38
MMP8 P22894 1/20 0.38
MMP13 P45452 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 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
SCHEMBL8842257 0.81 ALDH1A1 (0.50) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL9703244 0.78 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL28003017 0.77 ALDH1A1 (0.52) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL27939197 0.76 ALDH1A1 (0.45) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL27659885 0.75 ALDH1A1 (0.47) ALDH1A1KMT2AGAAMEN1CA2
SCHEMBL4201426 0.75 ALDH1A1 (0.50) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL938973 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL4119814 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL28867389 0.75 ALDH1A1 (0.46) ALDH1A1KMT2AGAAMEN1ESR1
SCHEMBL4881543 0.75 ALDH1A1 (0.55) ALDH1A1KMT2AGAAMEN1F2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130225827-A1 New Process for the Preparation of Aryl Substituted Olefinic Amines TARGACEPT, INC. (US) 2013-08-29 US claimed
EP-2574188-A1 NEW PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OLEFINIC AMINES Targacept, Inc. (US) 2013-04-03 EP claimed
WO-2011146009-A1 NEW PROCESS FOR THE PREPARATION OF ARYL SUBSTITUTED OLEFINIC AMINES TARGACEPT INC. (SE) 2011-11-24 WO claimed
EP-1814852-B1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS CATALYST BIOSCIENCES INC (US) 2016-01-20 EP disclosed
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2015-11-05 US disclosed
US-9107915-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2015-08-18 US disclosed
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT INC (US) 2014-09-25 US disclosed
US-8778978-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2014-07-15 US disclosed
US-8703802-B2 Process for the preparation of aryl substituted olefinic amines TARGACEPT, INC. (US) 2014-04-22 US disclosed
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2014-02-06 US disclosed
US-8580826-B2 Hydroxybenzoate salts of metanicotine compounds TARGACEPT, INC. (US) 2013-11-12 US disclosed
US-6232316-B1 SUCH AS PARKINSON'S DISEASE, TOURETTE'S SYNDROME, SCHIZOPHRENIA, AND SENILE DEMENTIA OF ALZHEIMERS DISEASE TARGACEPT, INC. 2001-05-15 US disclosed
EP-1086082-A1 ARYLSUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 2001-03-28 EP disclosed
WO-2001017943-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2001-03-15 WO disclosed
US-6166048-A Pharmaceutical compositions for inhibition of cytokine production and secretion TARGACEPT, INC. (US) 2000-12-26 US disclosed
WO-2000075110-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE TARGACEPT, INC. (US) 2000-12-14 WO disclosed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO disclosed
EP-1042274-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-10-11 EP disclosed
WO-2000023418-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR USE R.J. REYNOLDS TOBACCO COMPANY (US) 2000-04-27 WO disclosed
WO-1999065876-A1 ARYL SUBSTITUTED OLEFINIC AMINES AND THEIR USE AS CHOLINERGIC RECEPTORS AGONISTS R.J. REYNOLDS TOBACCO COMPANY (US) 1999-12-23 WO 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-20130225827-A1 New Process for the Preparation of Aryl Substituted Olefinic Amines PNMT, MAOB, AOC2 ALDH1A1 1072/4885KMT2A 131/4885GAA 3950/4885
US-20150313883-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT ALDH1A1 1159/4885KMT2A 603/4885GAA 1324/4885
US-20140039014-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT ALDH1A1 1124/4885KMT2A 597/4885GAA 1340/4885
US-20140288132-A1 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS MAOB, SLC6A3, HTT ALDH1A1 1159/4885KMT2A 603/4885GAA 1324/4885

“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.