SCHEMBL3035987

SCHEMBL3035987

CNC1CCCCCCCC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
HSD17B10 Q99714 1/20 0.53
SIGMAR1 Q99720 2/20 0.42
EPHX1 P07099 6/20 0.41
CYP3A4 P08684 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
CA1 P00915 2/20 0.41
ADH1B P00325 2/20 0.41
ADH1C P00326 2/20 0.41
ADH1A P07327 2/20 0.41
CA12 O43570 2/20 0.41
CA7 P43166 2/20 0.41
CA14 Q9ULX7 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ADH4 P08319 1/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
EPHX2 P34913 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
SCHEMBL3016934 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166304 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166302 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL8921740 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL1148684 1.00
SCHEMBL1485899 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL13166298 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL3036481 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4
SCHEMBL8918 1.00
SCHEMBL13166301 1.00 ALDH1A1 (0.53) ALDH1A1HSD17B10SIGMAR1EPHX1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION WAVE LIFE SCIENCES LTD. (SG) 2023-11-02 US disclosed
US-20230053197-A1 ARYLAZO-HETEROARYL COMPOUNDS AND THEIR USE FOR LONG-TERM THERMAL ENERGY STORAGE IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2023-02-16 US disclosed
US-20230046018-A1 BIARYL COMPOUND AS PAN-RAF KINASE INHIBITOR QILU PHARMACEUTICAL CO., LTD. (CN) 2023-02-16 US disclosed
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF GUANGZHOU OCUSUN OPHTHALMIC BIOTECHNOLOGY CO., LTD. (CN) 2023-01-26 US disclosed
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MEDSHINE DISCOVERY INC. (CN) 2022-07-05 US disclosed
US-20220153772-A1 GLUCOSIDE DERIVATIVE THAT ACTS AS SGLT1 INHIBITOR AND APPLICATION THEREOF MEDSHINE DISCOVERY INC. (CN) 2022-05-19 US disclosed
EP-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 EP disclosed
WO-2021188880-A1 BENZENESULFONAMIDE DERIVATIVES AS TRAP1 MODULATORS AND USES THEREOF AMATHUS THERAPEUTICS, INC. (US) 2021-09-23 WO disclosed
US-11124523-B2 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof SHANDONG LUYE PHARMACEUTICAL CO., LTD. 2021-09-21 US disclosed
US-20210198220-A1 SSAO INHIBITOR SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-07-01 US disclosed
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-01-07 US disclosed
EP-2089373-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-08-19 EP disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
US-20080312217-A1 Organic Compounds NOVARTIS AG 2008-12-18 US disclosed
EP-1957073-A2 MEDICINAL DRUG OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-08-20 EP disclosed
WO-2008044667-A1 STAT3/5 ACTIVATION INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-04-17 WO disclosed
US-20070270422-A1 Aromatic Compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-11-22 US disclosed
WO-2007066784-A2 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-06-14 WO disclosed
EP-1773797-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-04-18 EP disclosed
WO-2006014012-A2 AROMATIC COMPOUNDS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-02-09 WO 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 (11 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-20220153772-A1 GLUCOSIDE DERIVATIVE THAT ACTS AS SGLT1 INHIBITOR AND APPLICATION THEREOF SLC5A1, SLC5A2, UGGT1 ALDH1A1 1185/4885HSD17B10 339/4885SIGMAR1 3969/4885
US-20210198220-A1 SSAO INHIBITOR SSB, ASAH2, AOX1 ALDH1A1 177/4885HSD17B10 489/4885SIGMAR1 1637/4885
US-11377444-B2 Pyridopyrimidine compounds acting as mTORC 1/2 dual inhibitors MTOR, RICTOR, MAPKAP1 ALDH1A1 3345/4885HSD17B10 3083/4885SIGMAR1 2902/4885
US-20230053197-A1 ARYLAZO-HETEROARYL COMPOUNDS AND THEIR USE FOR LONG-TERM THERMAL ENERGY STORAGE NQO1, CBR1, AHR ALDH1A1 40/4885HSD17B10 895/4885SIGMAR1 13/4885
US-20230046018-A1 BIARYL COMPOUND AS PAN-RAF KINASE INHIBITOR BRAF, RAF1, ARAF ALDH1A1 2921/4885HSD17B10 2414/4885SIGMAR1 4329/4885
US-20100004438-A1 DIARYLETHER DERIVATIVES AS ANTITUMOR AGENTS ROS1, CBR1, CBR3 ALDH1A1 265/4885HSD17B10 1295/4885SIGMAR1 21/4885
US-20230024516-A1 ISOQUINOLINONE DERIVATIVES SERVING AS ROCK PROTEIN KINASE INHIBITORS AND USE THEREOF ROCK1, ROCK2, CIT ALDH1A1 2665/4885HSD17B10 1832/4885SIGMAR1 4260/4885
US-11124523-B2 2,6-dioxaspiro [4,5] decane derivatives and preparation method therefor and pharmaceutical applications thereof OPRM1, OPRD1, OGFR ALDH1A1 565/4885HSD17B10 1541/4885SIGMAR1 10/4885
US-20230348524-A1 TECHNOLOGIES FOR OLIGONUCLEOTIDE PREPARATION POLRMT, DCLRE1B, RNGTT ALDH1A1 3318/4885HSD17B10 3496/4885SIGMAR1 4094/4885
US-20080312217-A1 Organic Compounds TRPA1, TRPV1, CHRM1 ALDH1A1 567/4885HSD17B10 3142/4885SIGMAR1 287/4885
US-20070270422-A1 Aromatic Compounds COL1A1, COL2A1, COL14A1 ALDH1A1 475/4885HSD17B10 801/4885SIGMAR1 136/4885

“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.