SCHEMBL249623

SCHEMBL249623

OCCCOc1cc[c]cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
RECQL P46063 1/20 0.46
KCNA3 P22001 1/20 0.41
NR1I2 O75469 1/20 0.38
PRSS1 P07477 3/20 0.36
TMPRSS2 O15393 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
XDH P47989 1/20 0.36
GAA P10253 2/20 0.36
PRMT1 Q99873 3/20 0.35
F2 P00734 2/20 0.35
ST14 Q9Y5Y6 2/20 0.35
PLAU P00749 1/20 0.35
FURIN P09958 1/20 0.35
LTA4H P09960 1/20 0.35
PRMT5 O14744 1/20 0.35
NR5A1 Q13285 1/20 0.35
SLC22A2 O15244 1/20 0.35
SLC22A1 O15245 1/20 0.35
PTP4A3 O75365 1/20 0.35

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
SCHEMBL8806298 0.93 ALDH1A1 (0.45) ALDH1A1RECQLKCNA3NR1I2PRSS1
SCHEMBL9357925 0.91 ALDH1A1 (0.43) ALDH1A1RECQLKCNA3PRSS1TMPRSS2
SCHEMBL9358013 0.91 ALDH1A1 (0.43) ALDH1A1RECQLKCNA3PRSS1TMPRSS2
SCHEMBL21879210 0.91 ALDH1A1 (0.43) ALDH1A1RECQLKCNA3PRSS1TMPRSS2
SCHEMBL8457672 0.91 ALDH1A1 (0.43) ALDH1A1RECQLKCNA3PRSS1TMPRSS2
SCHEMBL348921 0.88 ALDH1A1 (0.60) ALDH1A1RECQLKCNA3NR1I2PRSS1
SCHEMBL8809033 0.85 ALDH1A1 (0.42) ALDH1A1RECQLKCNA3PRSS1L3MBTL1
SCHEMBL555384 0.83 ALDH1A1 (0.56) ALDH1A1RECQLKCNA3NR1I2PRSS1
SCHEMBL10785918 0.83 KCNA3 (0.43) ALDH1A1RECQLKCNA3PRSS1GAA
SCHEMBL921280 0.81 KCNA3 (0.44) ALDH1A1RECQLKCNA3PRSS1TMPRSS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3740493-B1 INHIBTEURS DE L'INDOLEAMINE 2,3-DIOXYGÉNASE ET/OU DU TRYPTOPHANE DIOXYGÉNASE IDORSIA PHARMACEUTICALS LTD (CH) 2021-12-01 EP claimed
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDORSIA PHARMACEUTICALS LTD (CH) 2020-12-31 US claimed
EP-3740493-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE Idorsia Pharmaceuticals Ltd (CH) 2020-11-25 EP claimed
CN-111601810-A Inhibitors of indoleamine 2, 3-dioxygenase and/or tryptophan 2, 3-dioxygenase 爱杜西亚药品有限公司 2020-08-28 CN claimed
EP-1981884-B1 THIAZOLE COMPOUNDS AS PROTEIN KINASE B (PKB) INHIBITORS AMGEN INC (US) 2012-06-13 EP claimed
EP-1339663-B1 NAPHTHALENE DERIVATIVES NOVARTIS AG (CH) 2012-01-04 EP claimed
US-7919504-B2 Thiadiazole modulators of PKB AMGEN INC. (US) 2011-04-05 US claimed
US-7897619-B2 Heterocyclic modulators of PKB AMGEN INC. (US) 2011-03-01 US claimed
US-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2010-12-16 US claimed
EP-2173728-A2 HETEROCYCLIC MODULATORS OF PKB Amgen Inc. (US) 2010-04-14 EP claimed
EP-1833806-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS AstraZeneca AB (SE) 2007-09-19 EP claimed
WO-2007084391-A2 THIAZOLE COMPOUNDS AS PROTEIN KINASE B ( PKB) INHIBITORS AMGEN INC. (US) 2007-07-26 WO claimed
US-20070173506-A1 Thiazole compounds and methods of use AMGEN INC. (US) 2007-07-26 US claimed
WO-2006064189-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS ASTRAZENECA AB (SE) 2006-06-22 WO claimed
EP-1467998-B1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO MCNEIL PHARM INC (US) 2006-03-29 EP claimed
EP-1467998-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS Ortho-Mcneil Pharmaceutical, Inc. (US) 2004-10-20 EP claimed
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators ORTHO-MCNEIL PHARMACEUTICAL, INC. 2003-11-20 US claimed
WO-2003053977-A1 TETRACYCLIC HETEROCOMPOUNDS AS ESTROGEN RECEPTOR MODULATORS ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2003-07-03 WO claimed
US-6391916-B1 ANTITUMOR AGENTS THE HONG KONG UNIVERSITY OF SCIENCE AND TECHNOLOGY (CN) 2002-05-21 US claimed
US-5270308-A Hypotensives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-12-14 US claimed

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-20100317653-A1 OXADIAZOLE DERIVATIVES AS DGAT INHIBITORS DGAT1, DGAT2, GPR119 ALDH1A1 314/4885RECQL 2094/4885KCNA3 2200/4885
US-20030216463-A1 Novel heteroatom containing tetracyclic derivatives as selective estrogen receptor modulators GPER1, ESR2, FSHR ALDH1A1 2801/4885RECQL 4464/4885KCNA3 2455/4885
US-20070173506-A1 Thiazole compounds and methods of use MTOR, JAK2, PCK2 ALDH1A1 2061/4885RECQL 4122/4885KCNA3 4094/4885
US-20200405696-A1 INHIBITORS OF INDOLEAMINE 2,3-DIOXYGENASE AND/OR TRYPTOPHAN 2,3-DIOXYGENASE IDO2, TDO2, IDO1 ALDH1A1 631/4885RECQL 1374/4885KCNA3 4107/4885

“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.