SCHEMBL81999

SCHEMBL81999

OCCCc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.56
EPHX2 P34913 1/20 0.56
FFAR1 O14842 2/20 0.55
HDAC2 Q92769 2/20 0.53
TDP1 Q9NUW8 1/20 0.52
HDAC1 Q13547 1/20 0.51
MGLL Q99685 1/20 0.49
FDFT1 P37268 2/20 0.49
MMP12 P39900 2/20 0.48
ABCC4 O15439 1/20 0.48
LMNA P02545 1/20 0.48
GAA P10253 1/20 0.48
TSHR P16473 1/20 0.48
PTGS1 P23219 1/20 0.48
HTT P42858 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
MMP13 P45452 1/20 0.47
CA2 P00918 1/20 0.47
CNR2 P34972 1/20 0.46

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
SCHEMBL8623391 1.00 LTA4H (0.56) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL2162241 0.93 HDAC2 (0.56) LTA4HEPHX2FFAR1HDAC2TDP1
Biphenyl SCHEMBL27528312 0.93 TDP1 (0.61) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL5534575 0.91 HDAC2 (0.57) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL5540196 0.91 HDAC2 (0.57) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL3535251 0.91 CA2 (0.54) LTA4HEPHX2FFAR1TDP1CA2
SCHEMBL10001880 0.89 MEN1 (0.53) LTA4HEPHX2FFAR1HDAC2TDP1
SCHEMBL19730229 0.87 MEN1 (0.46) LTA4HEPHX2FFAR1HDAC2HDAC1
SCHEMBL22251662 0.86 TDP1 (0.71) FFAR1HDAC2TDP1MMP12ABCC4
SCHEMBL1938644 0.86 TDP1 (0.71) FFAR1HDAC2TDP1MMP12ABCC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5043312-A Mixture of imino and isocyanate compounds, biphenyl alcohol in binder on support; image preservation, heat responsiveness MITSUBISHI PAPER MILLS LIMITED (JP) 1991-08-27 US claimed
WO-2023206874-A1 SACUBITRIL INTERMEDIATE, PREPARATION METHOD THEREFOR, AND USE THEREOF 凯特立斯(深圳)科技有限公司 2023-11-02 WO disclosed
EP-3558930-B1 NEW PROCESS FOR EARLY SACUBITRIL INTERMEDIATES NOVARTIS AG (CH) 2021-05-26 EP disclosed
US-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2020-11-10 US disclosed
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF EAST CHINA UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2019-10-17 US disclosed
WO-2018095287-A1 BENZOHETEROCYCLYL ALKYLAMINE COMPOUND AND USE THEREOF 华东理工大学 2018-05-31 WO disclosed
EP-2890672-B1 PROCESSES FOR PREPARING INTERMEDIATES FOR THE MANUFACTURE OF NEP INHIBITORS NOVARTIS AG (CH) 2018-05-30 EP disclosed
EP-2837642-B1 PHOTOCURABLE COMPOSITION AND ENCAPSULATED APPARATUS PREPARED USING THE SAME SAMSUNG SDI CO LTD (KR) 2018-05-09 EP disclosed
CN-105142673-B Novel cyclohexyl and quininuclidinyl carbamate derivatives with beta 2-adrenergic activator and M3 muscarinic antagonists activity 阿尔米雷尔有限公司 2018-01-05 CN disclosed
US-9809537-B2 Glycosidase inhibitors and uses thereof ALECTOS THERAPEUTICS INC. (CA) 2017-11-07 US disclosed
EP-1555267-A1 2,3-DIHYDRO-6-NITROIMIDAZO 2,1-b OXAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2005-07-20 EP disclosed
US-5741438-A Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as an effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-04-21 US disclosed
US-5712396-A PHOSPHONOSULFONATE COMPOUNDS USED FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND ATHEROSCLEROSIS MAGNIN DAVID R (US) 1998-01-27 US disclosed
US-5567841-A ANTICHOLESTEROL AGENT BRISTOL-MYERS SQUIBB COMPANY (US) 1996-10-22 US disclosed
US-5470845-A Methods of using α-phosphonosulfonate squalene synthetase inhibitors including the treatment of atherosclerosis and hypercholesterolemia BRISTOL-MYERS SQUIBB COMPANY (US) 1995-11-28 US disclosed
EP-0395390-B1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL CO (JP) 1994-09-28 EP disclosed
US-5043312-A Mixture of imino and isocyanate compounds, biphenyl alcohol in binder on support; image preservation, heat responsiveness MITSUBISHI PAPER MILLS LIMITED (JP) 1991-08-27 US disclosed
EP-0395390-A1 Optically active biphenyl derivative, process for preparation thereof, liquid crystal composition containing the same as effective component, and liquid crystal element using the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1990-10-31 EP disclosed
US-4613597-A ANTICOAGULANTS, VASODILATORS, BRONCHODILATORS GLAXO GROUP LIMITED (GB) 1986-09-23 US disclosed
US-4342756-A AS ANTITHROMBOTIC AGENTS AND ANTIASTHMATIC AGENTS GLAXO GROUP LIMITED (GB) 1982-08-03 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 (2 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-10829464-B2 Benzoheterocyclic alkylamine compounds and use thereof AADAC, AAAS, NISCH LTA4H 123/4885EPHX2 1823/4885FFAR1 3546/4885
US-20190315703-A1 BENZOHETEROCYCLIC ALKYLAMINE COMPOUNDS AND USE THEREOF AADAC, AAAS, NISCH LTA4H 123/4885EPHX2 1823/4885FFAR1 3546/4885

“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.