SCHEMBL728455

SCHEMBL728455

Bc1ccccc1C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
IDO1 P14902 2/20 0.40
TSHR P16473 1/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 1/20 0.39
HSD11B1 P28845 1/20 0.38
NFKB1 P19838 1/20 0.38
KIF11 P52732 1/20 0.38
HTR2C P28335 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CA2 P00918 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
MAPT P10636 1/20 0.35
CYP2C9 P11712 1/20 0.35

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
SCHEMBL30863576 1.00 ALDH1A1 (0.43) ALDH1A1TDP1POLBL3MBTL1IDO1
Water SCHEMBL27581485 0.97 ALDH1A1 (0.41) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL29441997 0.78 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL63469 0.78 ALDH1A1 (0.52) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL13601605 0.77 MPL (0.40) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL13601607 0.77 HSD11B1 (0.40) ALDH1A1TDP1POLBL3MBTL1IDO1
Hydrogen Sulfide SCHEMBL28274662 0.76 ALDH1A1 (0.50) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL23324839 0.75 CA2 (0.39) ALDH1A1TDP1POLBL3MBTL1LMNA
SCHEMBL21303635 0.74 ALDH1A1 (0.39) ALDH1A1TDP1POLBL3MBTL1IDO1
SCHEMBL72183 0.74 ALDH1A1 (0.44) ALDH1A1TDP1POLBL3MBTL1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4705853-B2 2011-06-22 JP claimed
EP-1517928-A1 SUPPORTED HYBRID METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG Chem, LTD. LG Twin Tower (KR) 2005-03-30 EP claimed
WO-2004087770-A1 SUPPORTED HYBRID METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM LTD. (KR) 2004-10-14 WO claimed
US-11844276-B2 Organic electroluminescent device emitting blue light SAMSUNG DISPLAY CO., LTD. (KR) 2023-12-12 US disclosed
EP-3755695-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO LTD (KR) 2023-10-11 EP disclosed
US-11674163-B2 Processes for the preparation of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid and salts thereof ARENA PHARMACEUTICALS, INC. (US) 2023-06-13 US disclosed
US-20230063469-A1 Organic Electroluminescent Device Emitting Blue Light SAMSUNG DISPLAY CO., LTD. (KR) 2023-03-02 US disclosed
US-11149292-B2 Processes for the preparation of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[B]indol-3-yl)acetic acid and salts thereof ARENA PHARMACEUTICALS, INC. (US) 2021-10-19 US disclosed
US-10807946-B2 Antagonists of the glucagon receptor METABASIS THERAPEUTICS, INC. (US) 2020-10-20 US disclosed
US-20200119286-A1 ORGANIC ELECTROLUMINESCENT DEVICE EMITTING BLUE LIGHT SAMSUNG DISPLAY CO., LTD. (KR) 2020-04-16 US disclosed
WO-2019162332-A1 ORGANIC MOLECULES FOR OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-08-29 WO disclosed
EP-1670768-B1 COMPOUNDS AND METHODS FOR TREATING DYSLIPIDEMIA LILLY CO ELI (US) 2009-09-09 EP disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
US-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt ASAHI KASEI PHARMA CORPORATION (JP) 2008-08-21 US disclosed
CN-101184731-A Indoline compounds FOURNIER LAB SA (FR) 2008-05-21 CN disclosed
WO-2007092435-A2 11-BETA HSD1 INHIBITORS WYETH (US) 2007-08-16 WO disclosed
EP-1517928-A1 SUPPORTED HYBRID METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG Chem, LTD. LG Twin Tower (KR) 2005-03-30 EP disclosed
WO-2004087770-A1 SUPPORTED HYBRID METALLOCENE CATALYST, METHOD FOR PREPARING THE SAME, AND METHOD FOR PREPARING POLYOLEFIN USING THE SAME LG CHEM LTD. (KR) 2004-10-14 WO disclosed
CN-1447813-A Late transition metal complexes, their use as catalysts and polymers therefrom EXXONMOBIL RES & ENG CO (US) 2003-10-08 CN disclosed
CN-1085218-C Olefin polymerization catalyst ASAHI CHEMICAL IND (JP) 2002-05-22 CN 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-20080200535-A1 sphingosine 1-phosphate-1/EDG-1 receptor agonists; autoimmune diseases; immunosuppressants by inducing lymphocyte sequestration in secondary lymphoid tissues; 4-aminocyclopentane-2-encarboxylic acid hydrochloric acid salt S1PR1, S1PR2, S1PR4 ALDH1A1 708/4885TDP1 598/4885POLB 4614/4885
US-11674163-B2 Processes for the preparation of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[b]indol-3-yl)acetic acid and salts thereof S1PR1, S1PR5, S1PR2 ALDH1A1 312/4885TDP1 2001/4885POLB 3601/4885
US-10807946-B2 Antagonists of the glucagon receptor GLP1R, GCGR, GPR119 ALDH1A1 4657/4885TDP1 4534/4885POLB 4495/4885
US-11149292-B2 Processes for the preparation of (R)-2-(7-(4-cyclopentyl-3-(trifluoromethyl)benzyloxy)-1,2,3,4-tetrahydrocyclopenta[B]indol-3-yl)acetic acid and salts thereof S1PR1, S1PR5, S1PR2 ALDH1A1 312/4885TDP1 2001/4885POLB 3601/4885

“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.