SCHEMBL61529

SCHEMBL61529

O=C(NCCO)C1CCCCC1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.59
EPHX1 P07099 1/20 0.59
HDAC6 Q9UBN7 2/20 0.52
HDAC8 Q9BY41 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
HSD17B10 Q99714 2/20 0.52
KEAP1 Q14145 1/20 0.51
NFE2L2 Q16236 1/20 0.51
NPC1 O15118 1/20 0.50
PKM P14618 1/20 0.50
EPHX2 P34913 1/20 0.50
RAB9A P51151 1/20 0.50
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
CTSL P07711 1/20 0.46
CTSB P07858 1/20 0.46
CTSK P43235 1/20 0.46
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL15739433 0.98 NAAA (0.56) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL19301621 0.93 NAAA (0.52) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL3987516 0.89
SCHEMBL3184451 0.89 NAAA (0.66) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL20794256 0.88 NAAA (0.66) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL15426780 0.88 NAAA (0.66) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL17172545 0.83 NAAA (0.82) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL6136977 0.82 EPHX1 (0.63) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL13712654 0.82 NAAA (0.69) NAAAEPHX1HDAC6HDAC8SMN1; SMN2
SCHEMBL16512798 0.82 NAAA (0.42) NAAAEPHX1SMN1; SMN2HSD17B10KEAP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112752757-B Tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2024-01-12 CN claimed
US-7632911-B2 Liquid modified diphenylmethane diisocyanates BAYER MATERIALSCIENCE LLC (US) 2009-12-15 US claimed
WO-2008060411-A2 NEW LIQUID MODIFIED DIPHENYLMETHANE DIISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2008-05-22 WO claimed
US-20080114186-A1 New liquid modified diphenylmetilane diisocyanates BAYER MATERIALSCIENCE LLC 2008-05-15 US claimed
CN-112752757-B Tyrosine amide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2024-01-12 CN disclosed
US-20170166548-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals SANOFI (FR) 2017-06-15 US disclosed
US-9440941-B2 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals SANOFI (FR) 2016-09-13 US disclosed
US-20160016928-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals SANOFI (FR) 2016-01-21 US disclosed
US-8129519-B2 Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof ALLERGAN SALES, LLC 2012-03-06 US disclosed
US-20110039981-A1 EPOXY RESINS DERIVED FROM NON-SEED OIL BASED ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES LLC 2011-02-17 US disclosed
EP-2283059-A1 EPOXY RESINS DERIVED FROM NON-SEED OIL BASED ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME Dow Global Technologies Inc. (US) 2011-02-16 EP disclosed
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF ALLERGAN SALES, LLC 2010-06-03 US disclosed
US-20100041794-A1 HYDROXYL-TERMINATED OR CARBOXYLIC ACID-TERMINATED REACTIVE MONOMER COMPOSITIONS, THEIR PREPARATION AND THEIR USE DOW GLOBAL TECHNOLOGIES LLC 2010-02-18 US disclosed
US-7632911-B2 Liquid modified diphenylmethane diisocyanates BAYER MATERIALSCIENCE LLC (US) 2009-12-15 US disclosed
WO-2009143037-A1 EPOXY RESINS DERIVED FROM NON-SEED OIL BASED ALKANOLAMIDES AND A PROCESS FOR PREPARING THE SAME DOW GLOBAL TECHNOLOGIES INC. (US) 2009-11-26 WO disclosed
EP-2121581-A2 HYDROXYL-TERMINATED OR CARBOXYLIC ACID- TERMINATED REACTIVE MONOMER COMPOSITIONS, THEIR PREPARATION AND THEIR USE Dow Global Technologies Inc. (US) 2009-11-25 EP disclosed
WO-2008088624-A2 HYDROXYL-TERMINATED OR CARBOXYLIC ACID- TERMINATED REACTIVE MONOMER COMPOSITIONS, THEIR PREPARATION AND THEIR USE DOW GLOBAL TECHNOLOGIES INC. (US) 2008-07-24 WO disclosed
WO-2008060411-A2 NEW LIQUID MODIFIED DIPHENYLMETHANE DIISOCYANATES BAYER MATERIALSCIENCE LLC (US) 2008-05-22 WO disclosed
US-20080114186-A1 New liquid modified diphenylmetilane diisocyanates BAYER MATERIALSCIENCE LLC 2008-05-15 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 (4 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-20160016928-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals RYR2, RYR1, CACNA1E NAAA 3021/4885EPHX1 445/4885HDAC6 2351/4885
US-20170166548-A1 Substituted chroman-6-yloxy-cycloalkanes and their use as pharmaceuticals RYR2, RYR1, CACNA1E NAAA 3035/4885EPHX1 450/4885HDAC6 2336/4885
US-20100137354-A1 DERIVATIVES OF FLUORENE, ANTHRACENE, XANTHENE, DIBENZOSUBERONE AND ACRIDINE AND USES THEREOF WNT1, CTNND1, CTNNB1 NAAA 3387/4885EPHX1 4256/4885HDAC6 1814/4885
US-20080114186-A1 New liquid modified diphenylmetilane diisocyanates DDT, DIMT1, QDPR NAAA 1590/4885EPHX1 2391/4885HDAC6 3556/4885

“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.