SCHEMBL122871

SCHEMBL122871

C1=CCC2CCCCCC2C1

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6155112 1.00 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10
SCHEMBL189164 0.96 ALDH1A1 (0.50) ALDH1A1
SCHEMBL11867125 0.89
SCHEMBL188708 0.89
SCHEMBL868507 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10
SCHEMBL1133217 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EHSD17B10
SCHEMBL14218207 0.86 ALDH1A1 (0.57) ALDH1A1
SCHEMBL6738460 0.86 ALDH1A1 (0.38) ALDH1A1
SCHEMBL23421864 0.84 ALDH1A1 (0.39) ALDH1A1
SCHEMBL10846656 0.84 ALDH1A1 (0.39) ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10117878-B2 Ligands for nematode nuclear receptors and uses thereof BOARD OF REGENTS, UNIVERSITY OF TEXAS SYSTEM (US) 2018-11-06 US disclosed
US-9856219-B2 Substituted quinoline compounds as S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2018-01-02 US disclosed
EP-3247715-A1 METHODS OF PREVENTING, REDUCING OR TREATING MACULAR DEGENERATION Inotek Pharmaceuticals Corporation (US) 2017-11-29 EP disclosed
US-9814700-B2 Pyrrole inhibitors of S-nitrosoglutathione reductase as therapeutic agents NIVALIS THERAPEUTICS, INC. (US) 2017-11-14 US disclosed
US-9707212-B2 S-nitrosoglutathione reductase inhibitors NIVALIS THERAPEUTICS, INC. (US) 2017-07-18 US disclosed
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents LAUREL THERAPEUTICS LTD. (CN) 2017-02-23 US disclosed
EP-2897939-B1 BENZOIMIDAZOLE-CARBOXYLIC ACID AMIDE DERIVATIVES FOR TREATING METABOLIC OR CARDIOVASCULAR DISEASES SANOFI SA (FR) 2017-02-01 EP disclosed
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 US disclosed
EP-2555776-B1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND NON-SELECTIVE BETA-ADRENERGIC RECEPTOR BLOCKERS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORP (US) 2016-12-07 EP disclosed
EP-2555775-B1 COMBINATION COMPOSITIONS OF ADENOSINE A1 AGONISTS AND CARBONIC ANHYDRASE INHIBITORS FOR REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORP (US) 2016-12-07 EP disclosed
US-20060004043-A1 Indazole compounds and methods of use thereof BHAGWAT SHRIPAD S 2006-01-05 US disclosed
US-20050288271-A1 Arylsulfonamides and uses related thereto AMGEN INC. (US) 2005-12-29 US disclosed
US-20050282768-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof INOTEK PHARMACEUTICALS CORPORATION 2005-12-22 US disclosed
WO-2005118538-A2 ARYLSULFONAMIDES AND USES AS HYDROXYSTEROID DEHYDROGENASE AMGEN, INC. (US) 2005-12-15 WO disclosed
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto AMGEN SF, LLC (US) 2005-12-15 US disclosed
WO-2005117910-A2 PURINE DERIVATIVES AS ADENOSINE A1 RECEPTOR AGONISTS AND METHODS OF USE THEREOF INOTEK PHARMACEUTICALS CORPORATION (US) 2005-12-15 WO disclosed
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes AMGEN INC. 2005-12-15 US disclosed
WO-2005110980-A2 ARYL SULFONES AND USES RELATED THERETO AMGEN, INC. (US) 2005-11-24 WO disclosed
WO-2005063247-A1 ARYL SULFONAMIDE COMPOUNDS AND USES RELATED THERETO AMGEN INC. (US) 2005-07-14 WO disclosed
WO-2005051942-A1 INDAZOLE COMPOUNDS AND METHODS OF USE THEREOF AS PROTEIN KINASE INHIBITORS SIGNAL PHARMACEUTICALS, LLC (US) 2005-06-09 WO 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 (8 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-20050282768-A1 Purine derivatives as adenosine A1 receptor agonists and methods of use thereof ADORA2A, ADORA1, ADORA3 ALDH1A1 336/4885KDM4E 4441/4885HSD17B10 3776/4885
US-10117878-B2 Ligands for nematode nuclear receptors and uses thereof NR4A1, NR0B1, NR1H2 ALDH1A1 3377/4885KDM4E 2859/4885HSD17B10 1487/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR ALDH1A1 449/4885KDM4E 1572/4885HSD17B10 197/4885
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A ALDH1A1 994/4885KDM4E 2336/4885HSD17B10 4619/4885
US-20050288271-A1 Arylsulfonamides and uses related thereto ARSA, STS, SULT2A1 ALDH1A1 229/4885KDM4E 2075/4885HSD17B10 203/4885
US-20050277649-A1 Aryl sulfonamide compounds and uses related thereto SULT2A1, ARSA, SULT1A1 ALDH1A1 118/4885KDM4E 1481/4885HSD17B10 350/4885
US-20050277665-A1 e.g. 1,1,1-trifluoro-2-[4-(toluene-2-sulfonyl)phenyl]-propan-2-ol; hydroxysteroid dehydrogenases inhibitor; interconversion between cortisone and cortisol in humans; antidiabetic agent; obesity, insulin resistance, non-insulin -dependent diabetes HSD17B1, HSD3B1, HSD11B1 ALDH1A1 103/4885KDM4E 2921/4885HSD17B10 26/4885
US-20060004043-A1 Indazole compounds and methods of use thereof WNT3, WNT3A, WNK3 ALDH1A1 3055/4885KDM4E 3359/4885HSD17B10 4007/4885

“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.