SCHEMBL900888

SCHEMBL900888

CC(C)C(=O)C1CCCCC1=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.49
MAPK1 P28482 1/20 0.46
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA4 P22748 1/20 0.43
KMT2A Q03164 2/20 0.42
CYP2D6 P10635 1/20 0.36
HTT P42858 2/20 0.36
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
OPRK1 P41145 1/20 0.36
KDM4E B2RXH2 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL21751527 1.00 MCL1 (0.49) MCL1MAPK1CA1CA2CA4
SCHEMBL16936484 0.98 MCL1 (0.47) MCL1MAPK1CA1CA2CA4
SCHEMBL11517543 0.94 MCL1 (0.42) MCL1MAPK1CA1CA2CA4
SCHEMBL4745209 0.80 MCL1 (0.49) MCL1MAPK1CA1CA2CA4
SCHEMBL182225 0.79 MAPK1 (0.50) MCL1MAPK1CA1CA2CA4
SCHEMBL63339 0.77 MCL1 (0.53) MCL1MAPK1CA1CA2CA4
SCHEMBL1132452 0.76 MCL1 (0.45) MCL1MAPK1CA1CA2CA4
SCHEMBL28485927 0.76 CCR2 (0.44) MCL1MAPK1CA1CA2CA4
SCHEMBL6914585 0.75 MCL1 (0.52) MCL1MAPK1CA1CA2CA4
SCHEMBL11664151 0.75 MCL1 (0.52) MCL1MAPK1CA1CA2CA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119662037-A Preparation method of blue dye 沈阳化工研究院有限公司 2025-03-21 CN claimed
US-12122788-B2 Process of making CFTR modulators VERTEX PHARMACEUTICALS INCORPORATED (US) 2024-10-22 US claimed
CN-117304184-A Pyrrolo [2,3-b ] pyridine intermediate compound and preparation method and application thereof 南京羚诺生物医药技术研究院有限公司 2023-12-29 CN claimed
US-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2023-12-14 US claimed
CN-115197195-A Preparation method of flumatinib intermediate 江苏豪森药业集团有限公司 2022-10-18 CN claimed
CN-111592490-B Preparation method of key intermediate of roxasistat 浙江工业大学 2022-04-22 CN claimed
US-20210246117-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2021-08-12 US claimed
CN-110183452-B Perfluorobutyl substituted compound and preparation method and application thereof 中山大学 2021-06-01 CN claimed
CN-112830893-A ROR gamma inhibitor, preparation method and medical application thereof 成都倍特药业股份有限公司 2021-05-25 CN claimed
EP-3720849-A2 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR Vertex Pharmaceuticals Incorporated (US) 2020-10-14 EP claimed
US-20140051867-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND GILEAD SCIENCES, INC. (US) 2014-02-20 US claimed
EP-2245020-B1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBVIE INC (US) 2014-01-15 EP claimed
EP-2540711-A1 SELENALZOLE DERIVATIVE HAVING LIGAND WHICH ACTIVATES PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR), PREPARING METHOD THEREOF AND USAGE OF THE CHEMICAL COMPOUNDS SNU R & DB Foundation (KR) 2013-01-02 EP claimed
US-20120316346-A1 SELENALZOLE DERIVATIVE HAVING LIGAND WHICH ACTIVATES PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR), PREPARING METHOD THEREOF AND USAGE OF THE CHEMICAL COMPOUNDS SNU R & DB FOUNDATION (KR) 2012-12-13 US claimed
US-20110183079-A1 PLASMA ENHANCED ATOMIC LAYER DEPOSITION PROCESS PENN STATE RESEARCH FOUNDATION (US) 2011-07-28 US claimed
WO-2011026064-A1 IMPROVED PLASMA ENHANCED ATOMIC LAYER DEPOSITION PROCESS THE PENN STATE RESEARCH FOUNDATION (US) 2011-03-03 WO claimed
EP-2245020-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF Abbott Laboratories (US) 2010-11-03 EP claimed
WO-2009086163-A2 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-07-09 WO claimed
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF ABBOTT LABORATORIES (US) 2009-06-25 US claimed
WO-2007134421-A1 2-VINYL INDOLES, PYRIDO AND AZEPINO INDOLE DERIVATIVES, 2-ALKYNYL INDOLES, 2-ALKYNYL BENZO[b]FURANS, THEIR PRECURSORS AND NOVEL PROCESSES FOR THE PREPARATION THEREOF LAUTENS MARK (CA) 2007-11-29 WO 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 (6 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-20230399343-A1 PROCESS OF MAKING CFTR MODULATORS CFTR, SLC26A4, TMEM109 MCL1 3767/4885MAPK1 2836/4885CA1 4856/4885
US-20090163470-A1 THIAZOLYLIDINE UREA AND AMIDE DERIVATIVES AND METHODS OF USE THEREOF NMUR1, NMUR2, PAM MCL1 4637/4885MAPK1 2582/4885CA1 1235/4885
US-20210246117-A1 PROCESSES FOR MAKING MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1B, SCNN1G MCL1 4101/4885MAPK1 1948/4885CA1 4860/4885
US-20120316346-A1 SELENALZOLE DERIVATIVE HAVING LIGAND WHICH ACTIVATES PEROXISOME PROLIFERATOR ACTIVATED RECEPTOR (PPAR), PREPARING METHOD THEREOF AND USAGE OF THE CHEMICAL COMPOUNDS PPARG, PPARA, PPARD MCL1 4091/4885MAPK1 1993/4885CA1 4069/4885
US-20140051867-A1 SYNTHESIS OF AN ANTIVIRAL COMPOUND EIF2AK2, SARS1, MAVS MCL1 1094/4885MAPK1 1915/4885CA1 4610/4885
US-12122788-B2 Process of making CFTR modulators CFTR, SLC26A4, TMEM109 MCL1 3767/4885MAPK1 2836/4885CA1 4856/4885

“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.