SCHEMBL122872

SCHEMBL122872

C1=C2CCCCC2CCCC1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.50
MAPT P10636 1/20 0.37
HDAC2 Q92769 2/20 0.33
HDAC1 Q13547 1/20 0.33
CCR2 P41597 1/20 0.33
TLR4 O00206 1/20 0.32
HSD11B1 P28845 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
NPC1 O15118 1/20 0.30
EPHX1 P07099 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL1904517 1.00 KDM1A (0.50) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL216035 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL20552191 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL693557 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL6682662 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL123151 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL1053630 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL8361882 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL235344 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2
SCHEMBL5699292 0.98 KDM1A (0.48) KDM1AMAPTHDAC2HDAC1CCR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022202333-A1 PHENOLIC RESIN MIXTURE, AND CURABLE RESIN COMPOSITION AND CURED PRODUCT THEREOF 日本化薬株式会社 2022-09-29 WO disclosed
WO-2022202335-A1 PHENOLIC RESIN MIXTURE, CURABLE RESIN COMPOSITION, AND CURED PRODUCT THEREOF 日本化薬株式会社 2022-09-29 WO disclosed
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
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE INOTEK PHARMACEUTICALS CORPORATION 2016-12-22 US 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
WO-2005118538-A2 ARYLSULFONAMIDES AND USES AS HYDROXYSTEROID DEHYDROGENASE AMGEN, INC. (US) 2005-12-15 WO 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
EP-1523568-A2 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS Schering Aktiengesellschaft (DE) 2005-04-20 EP disclosed
WO-2004011663-A9 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS SCHERING AG (DE) 2004-05-06 WO disclosed
WO-2004011663-A2 MICROBIOLOGICAL METHOD FOR THE PRODUCTION OF 7 ALPHA-SUBSTITUTED 11 ALPHA-HYDROXYSTEROIDS SCHERING AKTIENGESELLSCHAFT (DE) 2004-02-05 WO disclosed
EP-0711313-A1 ISOCYANATE/POLYOL REACTION RESIN Henkel Kommanditgesellschaft auf Aktien (DE) 1996-05-15 EP disclosed
WO-1995000568-A1 ISOCYANATE/POLYOL REACTION RESIN HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1995-01-05 WO disclosed
EP-0506359-A2 Epoxy resin compositions and semiconductor devices encapsulated therewith SHIN-ETSU CHEMICAL CO., LTD. (JP) 1992-09-30 EP 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 (3 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-10117878-B2 Ligands for nematode nuclear receptors and uses thereof NR4A1, NR0B1, NR1H2 KDM1A 2231/4885MAPT 4726/4885HDAC2 543/4885
US-20170049750-A1 Novel Pyrrole Inhibitors of S-Nitrosoglutathione Reductase as Therapeutic Agents GSR, DHFR, GRHPR KDM1A 1944/4885MAPT 3482/4885HDAC2 1956/4885
US-20160367586-A1 COMBINATION, KIT AND METHOD OF REDUCING INTRAOCULAR PRESSURE PTGIR, ADORA1, PDE3A KDM1A 1060/4885MAPT 4697/4885HDAC2 4089/4885

“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.