SCHEMBL2126591

SCHEMBL2126591

CCCOCC(=O)c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.56
ALDH1A1 P00352 4/20 0.49
NPSR1 Q6W5P4 1/20 0.49
NPC1 O15118 5/20 0.49
RAB9A P51151 4/20 0.49
SMN1; SMN2 Q16637 4/20 0.48
KMT2A Q03164 4/20 0.48
HPGD P15428 3/20 0.48
MAPT P10636 3/20 0.48
MEN1 O00255 3/20 0.48
MAPK1 P28482 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
CES1 P23141 2/20 0.48
KDM4E B2RXH2 1/20 0.48
CYP3A4 P08684 1/20 0.48
ALOX15 P16050 1/20 0.48
L3MBTL1 Q9Y468 4/20 0.46
GSK3B P49841 2/20 0.45
TRPA1 O75762 1/20 0.45
HIF1A Q16665 1/20 0.45

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
SCHEMBL6963661 0.95 SMN1; SMN2 (0.54) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL1742078 0.89 TSHR (0.49) LMNANPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL10696209 0.87 LMNA (0.45) LMNAALDH1A1NPSR1NPC1RAB9A
SCHEMBL524255 0.87 CES2 (0.50) LMNAALDH1A1MAPK1CES1CYP3A4
SCHEMBL11461527 0.87 PLA2G4B (0.50) ALDH1A1KMT2AL3MBTL1
SCHEMBL9414538 0.86 CES2 (0.53) LMNAALDH1A1MAPTMAPK1TDP1
SCHEMBL10498007 0.86 CES2 (0.53) LMNAALDH1A1MAPTMAPK1TDP1
SCHEMBL9695930 0.86 CES2 (0.53) LMNAALDH1A1MAPTMAPK1TDP1
SCHEMBL8889723 0.86 CES2 (0.53) LMNAALDH1A1MAPTMAPK1TDP1
SCHEMBL9280452 0.86 CES2 (0.53) LMNAALDH1A1MAPTMAPK1TDP1

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-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2022-08-11 US disclosed
US-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2019-04-18 US disclosed
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 Vettore, LLC 2018-06-14 US disclosed
EP-3130025-A1 COVALENTLY CROSS-LINKED GEL ELECTROLYTES Amtek Research International, LLC. (US) 2017-02-15 EP disclosed
EP-2611819-B1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO PERFUMERY CO LTD (JP) 2015-12-16 EP disclosed
WO-2015176016-A1 COVALENTLY CROSS-LINKED GEL ELECTROLYTES AMTEK RESEARCH INTERNATIONAL LLC (US) 2015-11-19 WO disclosed
CN-104974135-A Targeted DNA (deoxyribonucleic acid) naphthyldiimide-structure-containing celecoxib derivatives with antitumor activity, pharmaceutical composition, and preparation method and application thereof UNIV HEBEI 2015-10-14 CN disclosed
CN-103880828-A Oxide of benzisoxazole compound LING PEIXUE 2014-06-25 CN disclosed
US-8716531-B2 Method for producing norbornene derivative JX NIPPON OIL & ENERGY CORPORATION (JP) 2014-05-06 US disclosed
US-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-05-09 US disclosed
US-5231227-A Optically active hydroxybenzylamine derivative and process for producing said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-07-27 US disclosed
US-5200561-A PROCESS FOR PRODUCING OPTICALLY ACTIVE AMINES SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-04-06 US disclosed
EP-0311385-B1 OPTICALLY ACTIVE HYDROXYBENZYLAMINE DERIVATIVE, OPTICALLY ACTIVE AMINE-BORON COMPOUND CONTAINING SAID DERIVATIVE, AND PROCESS FOR PRODUCING OPTICALLY ACTIVE COMPOUND BY USING SAID COMPOUND SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-02-03 EP disclosed
US-5130486-A A ketoximine ether isomerized using a Lewis acid metal halide SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1992-07-14 US disclosed
US-5120853-A Reacting optically active amine-boron complex with oxime or ketone to produce opotically active amine or alcohol compounds SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-06-09 US disclosed
EP-0485069-A1 Process for producing optically active amines SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1992-05-13 EP disclosed
EP-0435687-A2 Process for isomerization of oxime ethers SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-07-03 EP disclosed
US-5011989-A Asymmetric reducing agents SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1991-04-30 US disclosed
EP-0347027-A2 Phenylpyridone derivatives,processes for their preparation and pharmaceutical compositions containing them. SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1989-12-20 EP disclosed
EP-0311385-A2 Optically active hydroxybenzylamine derivative, optically active amine-boron compound containing said derivative, and process for producing optically active compound by using said compound SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1989-04-12 EP 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-20130116438-A1 IRIDIUM COMPLEX AND METHOD FOR PRODUCING OPTICALLY ACTIVE COMPOUND PPIP5K2, INF2, IMPDH2 LMNA 4866/4885ALDH1A1 1285/4885NPSR1 2361/4885
US-20190112275-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 LMNA 3753/4885ALDH1A1 665/4885NPSR1 3965/4885
US-20220251047-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 LMNA 3753/4885ALDH1A1 665/4885NPSR1 3965/4885
US-20180162822-A1 HETEROCYCLIC INHIBITORS OF MCT4 SLC16A3, SLC16A1, MCTS1 LMNA 3753/4885ALDH1A1 665/4885NPSR1 3965/4885

“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.