SCHEMBL1663690

SCHEMBL1663690

CN(CCO)c1ccc(C(=O)O)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.58
NPC1 O15118 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 1/20 0.49
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
RXRA P19793 1/20 0.43
RXRB P28702 1/20 0.43
RXRG P48443 1/20 0.43
HCAR3 P49019 1/20 0.42
SRD5A2 P31213 2/20 0.41
RAB9A P51151 3/20 0.41
CA2 P00918 3/20 0.41
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
SLC22A6 Q4U2R8 1/20 0.41
SLC22A8 Q8TCC7 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
SCHEMBL19831127 0.90 NPC1 (0.66) L3MBTL1NPC1MEN1POLBKMT2A
SCHEMBL8975652 0.86 HPGD (0.57) L3MBTL1NPC1MEN1KMT2ATP53
SCHEMBL29265630 0.85 NPC1 (0.49) L3MBTL1NPC1MEN1POLBKMT2A
SCHEMBL11146761 0.85 HCAR3 (0.58) L3MBTL1NPC1MEN1POLBKMT2A
SCHEMBL21082729 0.84 L3MBTL1 (0.66) L3MBTL1NPC1MEN1KMT2AALDH1A1
SCHEMBL16016477 0.83 L3MBTL1 (0.53) L3MBTL1MEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL14207379 0.81 MEN1 (0.46) L3MBTL1NPC1MEN1POLBKMT2A
SCHEMBL9458908 0.81 MAPT (0.54) NPC1MEN1POLBKMT2ATP53
SCHEMBL10154271 0.80 L3MBTL1 (0.50) L3MBTL1TSHRSMN1; SMN2CA2CA12
SCHEMBL29114273 0.80 PTGES (0.51) MEN1KMT2ATP53TSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC (US) 2021-03-11 US disclosed
EP-2488486-B1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARM INC (US) 2019-08-14 EP disclosed
EP-3184448-B1 MULTILAYER PLASTIC CONTAINER MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-03 EP disclosed
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE PHARMACYCLICS LLC 2018-10-25 US disclosed
EP-3310776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE Pharmacyclics LLC (US) 2018-04-25 EP disclosed
CN-107709315-A The inhibitor of bruton's tyrosine kinase 药品循环有限责任公司 2018-02-16 CN disclosed
US-20170267436-A1 MULTILAYER PLASTIC CONTAINER MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2017-09-21 US disclosed
EP-3184448-A1 MULTILAYER PLASTIC CONTAINER Mitsubishi Gas Chemical Company, Inc. (JP) 2017-06-28 EP disclosed
US-9622991-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2017-04-18 US disclosed
WO-2016196776-A2 INHIBITORS OF BRUTON'S TYROSINE KINASE PHARMACYCLICS LLC. (US) 2016-12-08 WO disclosed
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-02-14 US disclosed
CN-1976932-A Fused quinoline derivative and use thereof TAKEDA PHARMACEUTICAL (JP) 2007-06-06 CN disclosed
EP-1740584-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-01-10 EP disclosed
WO-2005105802-A1 FUSED QUINOLINE DERIVATIVE AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 WO disclosed
EP-0778209-B1 Oxygen absorbing container TOYO SEIKAN KAISHA LTD (JP) 1998-09-09 EP disclosed
US-5800887-A CARBON MONOXIDE-STYRENE OR ETHYLENE COPOLYMER TOYO SEIKAN KAISHA, LTD. (JP) 1998-09-01 US disclosed
EP-0778209-A1 Oxygen absorbing container TOYO SEIKAN KAISHA LIMITED (JP) 1997-06-11 EP disclosed
US-RE35135-E Dental material; mixture of radical-polymerizable monomer, alpha-ketocarbonyl and aromatic amine MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1995-12-26 US disclosed
EP-0136186-B1 PHOTOCURABLE RESIN COMPOSITION MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP disclosed
US-4548689-A RADICAL POLYMERIZABLE MONOMER, KETOCARBONYL COMPOUND AND MERCAPTOB MITSUI PETROCHEMICAL INDUSTRIES, LTD. (JP) 1985-10-22 US 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-20210070748-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK L3MBTL1 1168/4885NPC1 4275/4885MEN1 3653/4885
US-20080039452-A1 Fused Quinoline Derivative and Use Thereof TACR2, HRH3, HRH2 L3MBTL1 2709/4885NPC1 2042/4885MEN1 1457/4885
US-20180305348-A1 INHIBITORS OF BRUTONS TYROSINE KINASE BTK, LYN, LCK L3MBTL1 1168/4885NPC1 4275/4885MEN1 3653/4885

“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.