SCHEMBL221126

SCHEMBL221126

CCc1c[c]c(OC)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.39
TUBB1 Q9H4B7 1/20 0.37
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TAAR1 Q96RJ0 1/20 0.32
TP53 P04637 1/20 0.32
CYP2A6 P11509 2/20 0.31
IDO1 P14902 1/20 0.31
TRPA1 O75762 1/20 0.31
LPL P06858 1/20 0.31
LIPG Q9Y5X9 1/20 0.31
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
CA2 P00918 1/20 0.30
CYP1A2 P05177 1/20 0.30

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
SCHEMBL193829 0.83 LPL (0.35) TUBB1TAAR1LPLLIPGCA2
SCHEMBL3958751 0.83 TTR (0.36) IDO1ALDH1A1CA2
SCHEMBL27645445 0.81 MAOB (0.39) TAAR1IDO1
SCHEMBL2885035 0.81 NQO1 (0.36) LMNASMN1; SMN2TAAR1TP53CYP2A6
SCHEMBL3955245 0.81 MAPT (0.35) TUBB1IDO1ALDH1A1CA2
SCHEMBL28893677 0.80 ALDH1A1 (0.53) LMNASMN1; SMN2TP53ALDH1A1TDP1
SCHEMBL7680287 0.80 CA2 (0.39) PTGS2LMNASMN1; SMN2TP53LPL
SCHEMBL21268166 0.79 ALDH1A1 (0.33) LMNASMN1; SMN2ALDH1A1TDP1
SCHEMBL8782140 0.78 LMNA (0.34) LMNASMN1; SMN2TP53ALDH1A1CA2
SCHEMBL2890983 0.78 HTR7 (0.40) ALDH1A1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4335439-A2 COMPOUNDS CTXT PTY LTD (AU) 2024-03-13 EP claimed
EP-3810602-B1 COMPOUNDS CTXT PTY LTD (AU) 2023-11-01 EP claimed
US-20220153710-A1 Compounds CTXT PTY LTD (AU) 2022-05-19 US claimed
EP-3810602-A1 COMPOUNDS CTXT Pty Limited (AU) 2021-04-28 EP claimed
CN-112334466-A Compound (I) CTXT私人有限公司 2021-02-05 CN claimed
US-20200039945-A1 Compounds CTXT PTY LIMITED (AU) 2020-02-06 US claimed
WO-2019243491-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2019-12-26 WO claimed
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators HOFFMANN-LA ROCHE INC. 2018-10-18 US claimed
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators HOFFMANN-LA ROCHE INC. (US) 2018-07-17 US claimed
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS HOFFMANN-LA ROCHE INC. 2016-07-21 US claimed
EP-1910362-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS Sirtris Pharmaceuticals, Inc. (US) 2008-04-16 EP claimed
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 US claimed
WO-2007019345-A1 IMIDAZOPYRIDINE DERIVATIVES AS SIRTUIN MODULATING AGENTS SIRTRIS PHARMACEUTICALS, INC. (US) 2007-02-15 WO claimed
EP-1425015-A4 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-12-15 EP claimed
US-6825208-B2 SELECTIVE INHIBITORS OF SERINE PROTEASE ENZYMES, ESPECIALLY FACTOR VIIA; MODULATION OF THE COAGULATION CASCADE. BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-11-30 US claimed
EP-1425015-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-06-09 EP claimed
US-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-12-04 US claimed
WO-2003015715-A2 TETRAHYDROQUINOLINE DERIVATIVES AS ANTITHROMBOTIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2003-02-27 WO claimed
US-6436961-B1 SUBSTANCE P RECEPTOR ANTAGONIST; 2-PHENYL-3-BENZYLAMINOPIPERIDINES PFIZER INC 2002-08-20 US claimed
EP-0462800-A2 Inhibitors of HIV reverse transcriptase MERCK & CO. INC. (US) 1991-12-27 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (7 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-20030225110-A1 Tetrahydroquinoline derivatives as antithrombotic agents TFPI, TFPI2, SERPINC1 PTGS2 680/4885TUBB1 4543/4885LMNA 1690/4885
US-20220153710-A1 Compounds SLC10A1, ABCB11, PCSK9 PTGS2 1467/4885TUBB1 1637/4885LMNA 1393/4885
US-20070037827-A1 Silent Information Regulators; aging or stress, diabetes, obesity, neurodegenerative diseases, cardiovascular disease, blood clotting , increased mitochondrial activity, inflammation, cancer, and/or flushing; increased lifespan specially in mutant sir2 strains; imidazo[1,2-a]pyridine drivatives SIRT2, SIRT1, SIRT3 PTGS2 483/4885TUBB1 4062/4885LMNA 3283/4885
US-20160207936-A1 PYRAZOLO[1,5a]PYRIMIDINE DERIVATIVES AS IRAK4 MODULATORS IRAK4, IRAK1, IRAK2 PTGS2 3746/4885TUBB1 1918/4885LMNA 2020/4885
US-20200039945-A1 Compounds SLC10A1, ABCB11, PCSK9 PTGS2 1466/4885TUBB1 1638/4885LMNA 1392/4885
US-10023589-B2 Pyrazolo[1,5a]pyrimidine derivatives as IRAK4 modulators IRAK4, IRAK1, IRAK2 PTGS2 3746/4885TUBB1 1918/4885LMNA 2020/4885
US-20180298026-A1 Pyrazolo[1,5a]Pyrimidine Derivatives as IRAK4 Modulators IRAK4, IRAK1, IRAK2 PTGS2 3746/4885TUBB1 1918/4885LMNA 2020/4885

“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.