SCHEMBL236726

SCHEMBL236726

C#C[C@@H](O)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.58
LMNA P02545 4/20 0.42
MAPK1 P28482 2/20 0.42
CACNA2D1 P54289 1/20 0.41
CACNB2 Q08289 1/20 0.41
CACNA1C Q13936 1/20 0.41
ALDH1A1 P00352 3/20 0.40
KDM4E B2RXH2 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2C P18825 1/20 0.39
HIF1A Q16665 1/20 0.39
HTT P42858 1/20 0.39
CYP2D6 P10635 1/20 0.39
SRC P12931 1/20 0.39

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
SCHEMBL77244 1.00 TSHR (0.58) TSHRLMNAMAPK1CACNA2D1CACNB2
SCHEMBL235417 1.00 TSHR (0.58) TSHRLMNAMAPK1CACNA2D1CACNB2
Carbamic Acid SCHEMBL10434705 0.89 TSHR (0.48) TSHRLMNAMAPK1CYP2D6SRC
Acetic Acid SCHEMBL28643353 0.89 TSHR (0.48) TSHRLMNAMAPK1CACNA2D1CACNB2
SCHEMBL6390318 0.86 PTGS2 (0.48) TSHRALDH1A1CYP2D6
SCHEMBL29184903 0.86 ESR1 (0.46) TSHR
SCHEMBL8681266 0.81 TSHR (0.41) TSHRLMNAMAPK1ALDH1A1HIF1A
SCHEMBL6965069 0.81 SRD5A2 (0.54) TSHR
SCHEMBL9547891 0.78 TSHR (0.64) TSHRLMNAMAPK1CACNA2D1CACNB2
SCHEMBL6962580 0.77 ESR1 (0.62) TSHRLMNAALDH1A1KDM4EHIF1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4605392-A1 METHODS FOR TREATING CANCER Antares Therapeutics, Inc. (US) 2025-08-27 EP disclosed
US-20250027118-A1 PHENYL ALCOHOLS FROM GAS FERMENTATION LANZATECH, INC. 2025-01-23 US disclosed
WO-2024086809-A1 METHODS FOR TREATING CANCER SCORPION THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed
WO-2023057548-A1 CCR6 RECEPTOR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2023-04-13 WO disclosed
US-9873713-B2 Process for synthesizing highly optically active 1,3-disubstituted allenes ZHEJIANG UNIVERSITY (CN) 2018-01-23 US disclosed
US-9464033-B2 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-10-11 US disclosed
US-9452153-B2 Amine derivative compounds for treating ophthalmic diseases and disorders ACUCELA INC. (US) 2016-09-27 US disclosed
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS ACUCELA INC. 2016-07-07 US disclosed
US-20160185812-A1 PROCESS FOR SYNTHESIZING HIGHLY OPTICALLY ACTIVE 1,3-DISUBSTITUTED ALLENES ZHEJIANG UNIVERSITY (CN) 2016-06-30 US disclosed
US-20160185812-A1 PROCESS FOR SYNTHESIZING HIGHLY OPTICALLY ACTIVE 1,3-DISUBSTITUTED ALLENES ZHEJIANG UNIVERSITY (CN) 2016-06-30 US disclosed
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF NORTH CAROLINA 2010-10-07 US disclosed
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS UNIVERSITY OF NORTH CAROLINA 2010-10-07 US disclosed
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS THERAVANCE, INC. (US) 2010-08-05 US disclosed
US-7732441-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2010-06-08 US disclosed
US-20100029722-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders ACUCELA, INC. (US) 2009-11-12 US disclosed
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders ACUCELA, INC. 2009-03-05 US disclosed
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme ABBOTT LABORATORIES (US) 2008-11-27 US disclosed
US-20080139603-A1 Azabicycloalkane compounds THERAVANCE BIOPHARMA R&D IP, LLC 2008-06-12 US disclosed
US-7358244-B2 Azabicycloalkane compounds THERAVANCE, INC. (US) 2008-04-15 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 (9 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-20080139603-A1 Azabicycloalkane compounds ADRB1, ADRB2, ADRA2B TSHR 303/4885LMNA 4154/4885MAPK1 1230/4885
US-20160193181-A1 AMINE DERIVATIVE COMPOUNDS FOR TREATING OPHTHALMIC DISEASES AND DISORDERS PDE6D, CLN6, AADAT TSHR 1801/4885LMNA 814/4885MAPK1 3218/4885
US-20080293713-A1 Inhibitors of Diacylglycerol O-acyltransferase Type 1 Enzyme DGAT1, DGAT2, LCAT TSHR 1852/4885LMNA 4304/4885MAPK1 1247/4885
US-20090062353-A1 Alkynyl phenyl derivative compounds for treating ophthalmic diseases and disorders PDE6D, STARD3, PDE6C TSHR 3834/4885LMNA 183/4885MAPK1 2868/4885
US-20100256142-A1 SYNTHESIS OF FUNCTIONALIZED OCTAHYDRO-ISOQUINOLIN-1-ONE-8- CARBOXAMIDES, OCTAHYDRO-ISOQUINOLIN-1-ONE-8-CARBOXYLIC ESTERS AND ANALOGS, AND THERAPEUTIC METHODS OPRM1, OPRK1, OPRL1 TSHR 381/4885LMNA 4488/4885MAPK1 656/4885
US-20100197922-A1 AZABICYCLOALKANE COMPOUNDS ADRB1, ADRB2, ADRA2B TSHR 303/4885LMNA 4154/4885MAPK1 1230/4885
US-20100029722-A1 ORGANIC COMPOUNDS SCD, SCD5, FADS2 TSHR 4191/4885LMNA 2176/4885MAPK1 4752/4885
US-20160185812-A1 PROCESS FOR SYNTHESIZING HIGHLY OPTICALLY ACTIVE 1,3-DISUBSTITUTED ALLENES ADH1C, ADH1A, DERA TSHR 2915/4885LMNA 1817/4885MAPK1 365/4885
US-20090281149-A1 Amine Derivative Compounds for Treating Ophthalmic Diseases and Disorders PDE6D, CLN6, AADAT TSHR 1801/4885LMNA 814/4885MAPK1 3218/4885

“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.