SCHEMBL3825901

SCHEMBL3825901

CCOC(C)C(CC)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.41
CHRM1 P11229 1/20 0.41
AKR1A1 P14550 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2A P28223 1/20 0.41
HTR2C P28335 1/20 0.41
ADRA1A P35348 1/20 0.41
HRH1 P35367 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
LMNA P02545 1/20 0.36
CA2 P00918 1/20 0.35
MAPK1 P28482 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33

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
SCHEMBL19813740 0.83 TDP1 (0.52) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL3871053 0.81 CA2 (0.45) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11125465 0.79 CHRM1 (0.31) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL5789746 0.79 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL240145 0.79 TDP1 (0.37) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL7800234 0.78 GABRP (0.41) TDP1GABRPGABRDGABRA1GABRB1
Ammonia Solution, Strong SCHEMBL27753044 0.77 TDP1 (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL2354887 0.77 LMNA (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL11382908 0.77 TDP1 (0.36) TDP1CHRM1AKR1A1CHRM3HTR2A
SCHEMBL566390 0.76 LMNA (0.39) TDP1CHRM1AKR1A1CHRM3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP claimed
WO-2019025575-A1 PROCESSES FOR PREPARING COMPLEXES COMPRISING RHODIUM(II) AND CARBOXYLATE LIGANDS STOCKHOLM UNIVERSITY HOLDING AB (SE) 2019-02-07 WO disclosed
CN-104335120-B Photosensitive resin composition, pattern formed using the same, and display panel including the same 株式会社LG化学 2018-04-03 CN disclosed
WO-2017129991-A2 PROCESSES FOR PREPARING STERICALLY CONGESTED DICARBOXYLIC ACID LIGANDS AND PRODUCTS THEREOF STOCKHOLM UNIVERSITY HOLDING AB (SE) 2017-08-03 WO disclosed
US-9341946-B2 Photosensitive resin composition, pattern formed using same and display panel comprising same LG CHEM, LTD. (KR) 2016-05-17 US disclosed
US-20150125789-A1 PHOTOSENSITIVE RESIN COMPOSITION, PATTERN FORMED USING SAME AND DISPLAY PANEL COMPRISING SAME LG CHEM, LTD. (KR) 2015-05-07 US disclosed
CN-104335120-A Photosensitive resin composition, pattern formed using the same, and display panel including the same LG CHEMICAL LTD 2015-02-04 CN disclosed
US-8716335-B2 Substituted benzofurans, benzothiophenes, benzoselenophenes and indoles and their use as tubulin polymerisation inhibitors BIONOMICS LIMITED (AU) 2014-05-06 US disclosed
US-20120214770-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS BIONOMICS LIMITED (AU) 2012-08-23 US disclosed
EP-1874784-B1 IONIC LIQUID UNIV BREMEN (DE) 2009-08-26 EP disclosed
WO-2006011647-A1 POLYMERIZABLE COMPOSITION, OPTICALLY ANISOTROPIC LAYER AND METHOD FOR MANUFACTURING THEREOF, OPTICAL COMPENSATORY ELEMENT, LIQUID CRYSTAL DISPLAY AND LIQUID CRYSTAL PROJECTOR FUJIFILM CORPORATION (JP) 2006-02-02 WO disclosed
US-5225529-A Central nervous system disorders such as Alzheimer*s disease FARMHISPANIA S.A. (ES) 1993-07-06 US disclosed
US-5049566-A Imidazole [4,5-c] pyridine derivatives having gastric acid antisecretory activity and pharmaceutical compositions containing them CHIESI FARMACEUTIC S.P.A. (IT) 1991-09-17 US disclosed
EP-0381070-A1 Synthetic amphiphilic glycoconjugates for neurological use FARMHISPANIA S.A. (ES) 1990-08-08 EP disclosed
US-4937367-A Process for the preparation of intermediates for the synthesis of fosfomycin ZAMBON GROUP S.P.A. (IT) 1990-06-26 US disclosed
US-4873337-A N-substituted derivatives of 2-(pyridylalkenesulfinyl) benzimidazoles as gastric antisecretory agents THE UPJOHN COMPANY (US) 1989-10-10 US disclosed
EP-0299484-A1 Process for the preparation of intermediates for the synthesis of fosfomycin ZAMBON GROUP S.p.A. (IT) 1989-01-18 EP disclosed
EP-0219626-A2 Film-forming compositions comprising polyglutarimide International Business Machines Corporation (US) 1987-04-29 EP disclosed
EP-0176308-A2 2-(Pyridylalkylenesulfinyl) benzimidazoles THE UPJOHN COMPANY (US) 1986-04-02 EP disclosed
US-4307112-A 9-Deoxy-9A-methylene isosteres of PGI2 and process for their preparation FARMITALIA CARLO ERBA S.P.A. (IT) 1981-12-22 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-20120214770-A1 SUBSTITUTED BENZOFURANS, BENZOTHIOPHENES, BENZOSELENOPHENES AND INDOLES AND THEIR USE AS TUBULIN POLYMERISATION INHIBITORS TUBB1, TUBB3, TUBB TDP1 661/4885CHRM1 4691/4885AKR1A1 3663/4885

“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.