SCHEMBL2681389

SCHEMBL2681389

Cc1c(C)c2ncccc2c2ncccc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.78
HSP90AA1 P07900 2/20 0.78
NPC1 O15118 1/20 0.78
CCR1 P32246 3/20 0.47
CCR8 P51685 3/20 0.47
HTT P42858 3/20 0.47
PSMD14 O00487 1/20 0.47
COPS5 Q92905 1/20 0.47
SLC6A2 P23975 1/20 0.47
PARP1 P09874 3/20 0.44
SLC40A1 Q9NP59 1/20 0.43
CCR5 P51681 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 4/20 0.41
SMN1; SMN2 Q16637 4/20 0.41
KDM4E B2RXH2 3/20 0.41
LMNA P02545 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
GMNN O75496 1/20 0.41
TP53 P04637 1/20 0.41

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
SCHEMBL28554365 0.98 L3MBTL1 (0.75) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL15624642 0.93 L3MBTL1 (0.82) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL14224306 0.91 L3MBTL1 (0.78) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL21297784 0.89 L3MBTL1 (0.68) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL21297755 0.88 HSP90AA1 (0.73) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL250356 0.88 L3MBTL1 (1.00) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL21297746 0.86 L3MBTL1 (0.71) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL1102920 0.86 L3MBTL1 (0.71) L3MBTL1HSP90AA1NPC1CCR1CCR8
Water SCHEMBL10480837 0.86 L3MBTL1 (0.95) L3MBTL1HSP90AA1NPC1CCR1CCR8
SCHEMBL30753478 0.86 L3MBTL1 (0.95) L3MBTL1HSP90AA1NPC1CCR1CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250251347-A1 PORTABLE LIQUID ANALYZER VERITEQUE USA INC (US) 2025-08-07 US claimed
CN-117964579-A Method for preparing epoxypropane and co-producing carboxylic acid by propylene epoxidation 中山大学 2024-05-03 CN claimed
CN-117797810-A Selective hydrogenation catalyst, preparation method and application thereof 中国石油化工股份有限公司 2024-04-02 CN claimed
CN-117778055-A Hydrogen donor and application, recovery and regeneration method thereof 中国石油化工股份有限公司 2024-03-29 CN claimed
US-11940387-B2 Portable liquid analyzer VERITEQUE USA, INC. (US) 2024-03-26 US claimed
US-20230226251-A1 WOUND CARE COVERING Boock Engineering LLC (US) 2023-07-20 US claimed
WO-2023135469-A1 WOUND CARE COVERING Boock Engineering LLC (US) 2023-07-20 WO claimed
EP-2450026-B1 DENTAL COMPOSITION HAVING A REDOX INDICATOR AND METHOD OF USING SAME KERR CORP (US) 2023-03-15 EP claimed
EP-2450027-B1 DENTAL COMPOSITIONS HAVING SPECIAL FUNCTIONALITY AND TRI-BARREL PACKAGING KERR CORP (US) 2023-01-11 EP claimed
US-11046835-B2 Intelligent polymer compositions BRASKEM S.A. (BR) 2021-06-29 US claimed
EP-2450026-A2 Dental composition having a redox indicator and method of using same Kerr Corporation (US) 2012-05-09 EP claimed
CN-100421799-C One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SHELL INT RESEARCH (NL) 2008-10-01 CN claimed
US-6903044-B2 One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SHELL OIL COMPANY (US) 2005-06-07 US claimed
CN-1551801-A One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand ���ʿ����о����޹�˾ 2004-12-01 CN claimed
US-20040176648-A1 One-step production of 1,3-propanediol from ethylene oxide and syngas with a cobalt-iron catalyst KNIFTON JOHN FREDERICK (US) 2004-09-09 US claimed
EP-1395363-A2 ONE-STEP PRODUCTION OF 1,3-PROPANEDIOL FROM ETHYLENE OXIDE AND SYNGAS WITH A CATALYST WITH A N-HETEROCYCLIC LIGAND SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 2004-03-10 EP claimed
US-20030204118-A1 One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand KNIFTON JOHN FREDERICK (US) 2003-10-30 US claimed
US-20030060668-A1 One-step production of 1, 3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SHELL OIL COMPANY 2003-03-27 US claimed
US-20030027717-A1 One-step production of 1, 3-propanediol from ethylene oxide and syngas with a cobalt-iron catalyst SHELL OIL COMPANY 2003-02-06 US claimed
WO-2002094425-A2 ONE-STEP PRODUCTION OF 1,3-PROPANEDIOL FROM ETHYLENE OXIDE AND SYNGAS WITH A CATALYST WITH A N-HETEROCYCLIC LIGAND SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) 2002-11-28 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 (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-20030060668-A1 One-step production of 1, 3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SCO2, CYP2U1, CORO1A L3MBTL1 3212/4885HSP90AA1 2539/4885NPC1 4307/4885
US-20030204118-A1 One-step production of 1,3-propanediol from ethylene oxide and syngas with a catalyst with a N-heterocyclic ligand SCO2, DUOX1, SYNGR2 L3MBTL1 3900/4885HSP90AA1 3407/4885NPC1 4472/4885
US-20040176648-A1 One-step production of 1,3-propanediol from ethylene oxide and syngas with a cobalt-iron catalyst PPOX, PCCA, PPIA L3MBTL1 3184/4885HSP90AA1 1907/4885NPC1 3353/4885

“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.