SCHEMBL8525889

SCHEMBL8525889

Cc1cc2c(cc1C)OCCO2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 3/20 0.47
GAA P10253 2/20 0.47
HPGD P15428 1/20 0.47
TSHR P16473 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ITGB2 P05107 1/20 0.43
ICAM1 P05362 1/20 0.43
ITGAL P20701 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
BLM P54132 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38

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
SCHEMBL19121395 0.88 FFAR4 (0.42) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL1702363 0.82 MAPT (0.42) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL12116988 0.82 CD44 (0.46) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL3344312 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL12062654 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL29362737 0.82 ALDH1A1 (0.47) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL13205860 0.82 ALOX5 (0.44) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL12116768 0.82 ALDH1A1 (0.40) ALDH1A1KDM4EGAAHPGDTSHR
SCHEMBL8005199 0.81 CYP3A4 (0.44) ALDH1A1KDM4EGAAHPGDHSD17B10
SCHEMBL27382541 0.79 ITGB2 (0.53) ALDH1A1KDM4EGAAHPGDTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 VANDERBILT UNIVERSITY 2023-06-15 US disclosed
US-20210300943-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 US disclosed
US-20210277015-A1 OGA INHIBITOR COMPOUNDS JANSSEN-CILAG S.A. (ES) 2021-09-09 US disclosed
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death HELMHOLTZ ZENTRUM MÜNCHEN DEUTSCHES FORSCHUNGSZENTRUM FÜR GESUNDHEIT UND UMWELT (GMBH) (DE) 2020-05-12 US disclosed
WO-2019243527-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
WO-2019243526-A1 OGA INHIBITOR COMPOUNDS JANSSEN PHARMACEUTICA NV (BE) 2019-12-26 WO disclosed
US-20180057477-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE NOVARTIS AG (CH) 2018-03-01 US disclosed
US-20170369473-A1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS SPINIFEX PHARMACEUTICALS PTY LTD (AU) 2017-12-28 US disclosed
WO-2017192929-A1 SUBSTITUTED PYRROLO[1,2-α]TRIAZINES AND RELATED COMPOUNDS AND THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS LYSOSOMAL THERAPEUTICS INC. (US) 2017-11-09 WO disclosed
US-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease CARMEL BIOSCIENCES, INC. 2012-05-24 US disclosed
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME KOWA COMPANY, LTD (JP) 2012-05-03 US disclosed
US-8076364-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-12-13 US disclosed
US-7976739-B2 Chromene compound TOKUYAMA CORPORATION (JP) 2011-07-12 US disclosed
US-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND NAKAMURA YOSHINORI 2011-04-21 US disclosed
US-7906517-B2 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-03-15 US disclosed
US-20100230649-A1 CHROMENE COMPOUND TOKUYAMA CORPORATION (JP) 2010-09-16 US disclosed
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-06-03 US disclosed
US-20090029994-A1 Trisubstituted amine compound MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-01-29 US disclosed
US-7202255-B2 Substituted [1,4] benzodioxino[2,3-e] isoindole derivatives, method for preparing and pharmaceutical compositions containing same LES LABORATOIRES SERVIER (FR) 2007-04-10 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 (13 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-20110092506-A1 TRISUBSTITUTED AMINE COMPOUND CETP, MTTP, APOB ALDH1A1 3054/4885KDM4E 309/4885GAA 1851/4885
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 ALDH1A1 319/4885KDM4E 2624/4885GAA 920/4885
US-20210300943-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885KDM4E 1495/4885GAA 15/4885
US-20210277015-A1 OGA INHIBITOR COMPOUNDS OGA, OGT, GRN ALDH1A1 3839/4885KDM4E 1495/4885GAA 15/4885
US-10647687-B2 Spiropyrazine derivatives as inhibitors of non-apoptotic regulated cell-death AIFM2, BAD, AIFM1 ALDH1A1 2889/4885KDM4E 3781/4885GAA 2647/4885
US-20170369473-A1 PYRROLIDINE DERIVATIVES AS ANGIOTENSIN II TYPE 2 ANTAGONISTS AGTR2, AGTR1, AVPR2 ALDH1A1 1954/4885KDM4E 3003/4885GAA 2970/4885
US-20180057477-A1 HETEROCYCLIC COMPOUNDS AND METHODS FOR THEIR USE AGTR2, AGTR1, BDKRB2 ALDH1A1 1904/4885KDM4E 3535/4885GAA 3249/4885
US-20230183237-A1 COMPETITIVE AND NONCOMPETITIVE INHIBITORS OF THE MUSCARINIC ACETYLCHOLINE RECEPTOR M5 CHRM5, CHRM1, CHRM2 ALDH1A1 622/4885KDM4E 1188/4885GAA 4089/4885
US-20100230649-A1 CHROMENE COMPOUND CCNT1, RB1, H1-0 ALDH1A1 1490/4885KDM4E 992/4885GAA 4431/4885
US-20120108581-A1 FUSED PIPERIDINE COMPOUND AND PHARMACEUTICAL CONTAINING SAME EPOR, JAK2, HBZ ALDH1A1 360/4885KDM4E 1441/4885GAA 1562/4885
US-20090029994-A1 Trisubstituted amine compound CETP, MTTP, APOB ALDH1A1 3054/4885KDM4E 309/4885GAA 1851/4885
US-20100137362-A1 HETEROCYCLIC HYDRAZIDE COMPOUND AND PESTICIDAL USE OF THE SAME ACHE, CAT, DNPH1 ALDH1A1 719/4885KDM4E 2297/4885GAA 2173/4885
US-20120129818-A1 Compositions and Methods for Treatment of Cardiovascular Disease APOB, LDLR, APOL1 ALDH1A1 864/4885KDM4E 969/4885GAA 1138/4885

“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.