SCHEMBL5585938

SCHEMBL5585938

O=C(O)c1ccc(NCCCO)cc1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4D Q6B0I6 1/20 0.53
PRSS1 P07477 8/20 0.47
TP53 P04637 1/20 0.46
TSHR P16473 1/20 0.46
F2 P00734 2/20 0.46
PRSS2 P07478 2/20 0.46
PRSS3 P35030 2/20 0.46
TMPRSS6 Q8IU80 2/20 0.46
ST14 Q9Y5Y6 2/20 0.46
POLB P06746 1/20 0.45
MITF O75030 1/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43

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
SCHEMBL11175449 0.93 PRSS1 (0.51) KDM4DPRSS1F2PRSS2PRSS3
SCHEMBL11174529 0.93 PRSS1 (0.51) KDM4DPRSS1F2PRSS2PRSS3
SCHEMBL11184370 0.91 PRSS1 (0.50) KDM4DPRSS1F2PRSS2PRSS3
SCHEMBL11183424 0.91 PRSS1 (0.50) KDM4DPRSS1F2PRSS2PRSS3
SCHEMBL19959711 0.90 TRPA1 (0.56) KDM4DPRSS1F2PRSS2PRSS3
SCHEMBL11748691 0.90 PRSS1 (0.57) PRSS1TP53TSHRF2PRSS2
Benzoic Acid SCHEMBL27857697 0.89 ALDH1A1 (0.55) KDM4DTSHRPOLBALDH1A1MAPT
SCHEMBL1663499 0.88 TSHR (0.50) TP53TSHRPOLBMITFFNTA
SCHEMBL29722205 0.83 ALDH1A1 (0.55) PRSS1F2PRSS2PRSS3TMPRSS6
SCHEMBL11176612 0.83 ALDH1A1 (0.57) PRSS1TSHRF2PRSS2PRSS3

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3184448-B1 MULTILAYER PLASTIC CONTAINER MITSUBISHI GAS CHEMICAL CO (JP) 2019-04-03 EP 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
US-9144557-B2 Hematopoietic growth factor mimetic small molecule compounds and their uses LIGAND PHARMACEUTICALS INC. (US) 2015-09-29 US disclosed
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES CITIBANK, N.A., AS ADMINISTRATIVE AGENT 2015-09-10 US disclosed
US-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2014-08-28 US disclosed
EP-2642994-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS Ligand Pharmaceuticals Incorporated (US) 2013-10-02 EP disclosed
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2012-11-22 US disclosed
WO-2012068406-A2 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS LIGAND PHARMACEUTICALS INCORPORATED (US) 2012-05-24 WO 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-20140243324-A1 USE OF HEMATOPOIETIC GROWTH FACTOR MIMETICS HGF, EPOR, MPL KDM4D 3944/4885PRSS1 1620/4885TP53 828/4885
US-20150252043-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4D 1645/4885PRSS1 3307/4885TP53 309/4885
US-20120295904-A1 HEMATOPOIETIC GROWTH FACTOR MIMETIC SMALL MOLECULE COMPOUNDS AND THEIR USES MPL, CSF3R, HGF KDM4D 1645/4885PRSS1 3307/4885TP53 309/4885

“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.