SCHEMBL701728

SCHEMBL701728

C[N+](C)(C)c1ccc(C(=O)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.60
TP53 P04637 1/20 0.60
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
SRD5A2 P31213 4/20 0.52
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA12 O43570 1/20 0.50
CA3 P07451 1/20 0.50
TYR P14679 1/20 0.50
DRD1 P21728 1/20 0.50
CA4 P22748 1/20 0.50
CA6 P23280 1/20 0.50
CA5A P35218 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
CA14 Q9ULX7 1/20 0.50
CA5B Q9Y2D0 1/20 0.50
HPGD P15428 1/20 0.48
ALOX15 P16050 1/20 0.48

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
Iodide SCHEMBL21857931 0.98 TSHR (0.57) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11375372 0.91 APOBEC3A (0.61) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11371951 0.91 APOBEC3A (0.61) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL106550 0.84 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL11372231 0.84 TSHR (0.75) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
Terephthalic Acid SCHEMBL27263279 0.81 TSHR (0.92) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL9460527 0.80 HPGD (0.55) TSHRTP53ALDH1A1SMN1; SMN2SRD5A2
SCHEMBL4625627 0.80 MAPT (0.50) ALDH1A1SMN1; SMN2HPGD
SCHEMBL4625530 0.79 ALDH1A1 (0.61) ALDH1A1SMN1; SMN2SRD5A2HPGDCES2
SCHEMBL22264917 0.78 ACHE (0.41) ALDH1A1CES2CES1APOBEC3AAPOBEC3G

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9632410-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, resist-coated mask blank, photomask and pattern forming method, and method for producing electronic device using them, and electronic device FUJIFILM CORPORATION (JP) 2017-04-25 US disclosed
US-9632410-B2 Actinic ray-sensitive or radiation-sensitive resin composition, resist film, resist-coated mask blank, photomask and pattern forming method, and method for producing electronic device using them, and electronic device FUJIFILM CORPORATION (JP) 2017-04-25 US disclosed
US-9356318-B2 Gel polymer electrolyte composition KURARAY CO., LTD. (JP) 2016-05-31 US disclosed
US-20160018732-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, RESIST-COATED MASK BLANK, PHOTOMASK AND PATTERN FORMING METHOD, AND METHOD FOR PRODUCING ELECTRONIC DEVICE USING THEM, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-01-21 US disclosed
US-20160018732-A1 ACTINIC RAY-SENSITIVE OR RADIATION-SENSITIVE RESIN COMPOSITION, RESIST FILM, RESIST-COATED MASK BLANK, PHOTOMASK AND PATTERN FORMING METHOD, AND METHOD FOR PRODUCING ELECTRONIC DEVICE USING THEM, AND ELECTRONIC DEVICE FUJIFILM CORPORATION (JP) 2016-01-21 US disclosed
EP-2524932-B1 GEL POLYMER ELECTROLYTE COMPOSITION KURARAY CO (JP) 2015-11-25 EP disclosed
CN-102791747-B Gel polymer electrolyte composition KURARAY CO 2014-08-06 CN disclosed
US-8541447-B2 3-substituted-2-(arlyalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2013-09-24 US disclosed
US-20120321963-A1 GEL POLYMER ELECTROLYTE COMPOSITION KURARAY CO., LTD. (JP) 2012-12-20 US disclosed
CN-102791747-A Gel polymer electrolyte composition KURARAY CO 2012-11-21 CN disclosed
US-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF ATTENUA, INC. 2008-06-12 US disclosed
EP-1917265-A1 HETEROARYL-SUBSTiTUTED DIAZATRICYCLOALKANES, METHODS FOR ITS PREPARATION AND USE THEREOF Targacept, Inc. (US) 2008-05-07 EP disclosed
EP-1594869-B1 3-SUBSTITUTED-2(ARYLALKYL)-1-AZABICYCLOALKANES AND METHODS OF USE THEREOF TARGACEPT INC (US) 2007-12-19 EP disclosed
US-20070259782-A1 REVERSIBLE THERMOSENSITIVE COLORING MATERIAL AND REVERSIBLE THERMOSENSITIVE RECORDING MATERIAL USING THE REVERSIBLE THERMOSENSITIVE COLORING MATERIAL RICOH COMPANY, LIMITED (JP) 2007-11-08 US disclosed
US-20070197579-A1 Heteroaryl-Substituted Diazatricycloalkanes and Methods of Use Thereof TARGACEPT, INC. 2007-08-23 US disclosed
WO-2007024814-A1 HETEROARYL-SUBSTiTUTED DIAZATRICYCLOALKANES, METHODS FOR ITS PREPARATION AND USE THEREOF TARGACEPT, INC. (US) 2007-03-01 WO disclosed
US-20060247270-A1 e.g. 2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl N-phenylcarbamate; nicotinic acetylcholine receptors alpha 7 (nAChRs)/neurotransmitter modulator; diagnostic radiolabel; central nervous systrem disorders, autoimmune diseases; antiinflammatory, antitumor agents, angiogenesis inhibitor ATTENUA, INC. 2006-11-02 US disclosed
US-20050255040-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof ATTENUA, INC. 2005-11-17 US disclosed
US-6953855-B2 3-substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof TARGACEPT, INC. (US) 2005-10-11 US disclosed
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof ATTENUA, INC. 2004-01-01 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 (5 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-20080138287-A1 3-SUBSTITUTED-2(ARYLALKYL)-1- AZABICYCLOALKANES AND METHODS OF USE THEREOF CHRNA7, CHRNA5, CHRNA3 TSHR 107/4885TP53 2283/4885ALDH1A1 880/4885
US-20070197579-A1 Heteroaryl-Substituted Diazatricycloalkanes and Methods of Use Thereof CHRNA7, CHRNA1, CHRNE TSHR 301/4885TP53 2870/4885ALDH1A1 1733/4885
US-20060247270-A1 e.g. 2-((3-pyridinyl)methyl)-1-azabicyclo[2.2.2]oct-3-yl N-phenylcarbamate; nicotinic acetylcholine receptors alpha 7 (nAChRs)/neurotransmitter modulator; diagnostic radiolabel; central nervous systrem disorders, autoimmune diseases; antiinflammatory, antitumor agents, angiogenesis inhibitor CHRM1, CHRNA7, CHRM3 TSHR 291/4885TP53 2810/4885ALDH1A1 1672/4885
US-20040002513-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA1 TSHR 93/4885TP53 2103/4885ALDH1A1 1036/4885
US-20050255040-A1 3-Substituted-2(arylalkyl)-1-azabicycloalkanes and methods of use thereof CHRNA7, CHRNA3, CHRNA5 TSHR 111/4885TP53 2469/4885ALDH1A1 882/4885

“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.