SCHEMBL6850758

SCHEMBL6850758

CCOc1cc(C=O)cc(OCC)c1OCC

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.58
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 1/20 0.53
TSHR P16473 1/20 0.52
LMNA P02545 3/20 0.49
CYP1A1 P04798 2/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2D6 P10635 2/20 0.48
CYP1B1 Q16678 2/20 0.48
TUBB1 Q9H4B7 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
TACR2 P21452 1/20 0.46
GAA P10253 2/20 0.44
HSD17B10 Q99714 1/20 0.44
MAPT P10636 2/20 0.43
HPGD P15428 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL29254188 0.93 TUBB1 (0.54) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL31004955 0.93 TUBB1 (0.54) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL13497712 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL3572644 0.88 ALDH1A1 (0.54) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL7461886 0.88 FDPS (0.51) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL1515859 0.87 TUBB1 (0.52) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL7457620 0.85 TUBB1 (0.55) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL3636709 0.83 ALDH1A1 (0.58) ALDH1A1L3MBTL1KDM4ETSHRLMNA
SCHEMBL28497425 0.82 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4ELMNASMN1; SMN2
SCHEMBL1121310 0.82 ALDH1A1 (0.56) ALDH1A1L3MBTL1KDM4ELMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11596716-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2023-03-07 US claimed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US claimed
EP-3038621-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR Human Biomolecular Research Institute (US) 2016-07-06 EP claimed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 US claimed
WO-2014146039-A2 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2014-09-18 WO claimed
EP-1126833-A4 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES INC (US) 2004-09-08 EP claimed
US-6388081-B1 4-substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries LION BIOSCIENCE AG (DE) 2002-05-14 US claimed
EP-1150565-A1 THIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF LION bioscience AG (DE) 2001-11-07 EP claimed
EP-1126833-A2 OXADIAZOLE, THIADIAZOLE AND TRIAZOLE DERIVATIVES AND COMBINATORIAL LIBRARIES THEREOF TREGA BIOSCIENCES, INC. (US) 2001-08-29 EP claimed
US-6262269-B1 4-Substituted-quinoline derivatives and 4-substituted-quinoline combinatorial libraries TREGA BIOSCIENCES, INC. 2001-07-17 US claimed
EP-0983507-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 2000-03-08 EP claimed
EP-0977989-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 2000-02-09 EP claimed
EP-0923734-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES Trega Biosciences, Inc. (US) 1999-06-23 EP claimed
US-5840500-A OPIOD RECEPTORS AS ANALGESICS AND CENTRALLY ACTING PAIN KILLERS TREGA BIOSCIENCES, INC. (US) 1998-11-24 US claimed
WO-1998034115-A1 4-SUBSTITUTED-QUINOLINE DERIVATIVES AND 4-SUBSTITUTE-QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998034111-A1 TRICYCLIC TETRAHYDROQUINOLINE DERIVATIVES AND TRICYCLIC TETRAHYDROQUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-08-06 WO claimed
WO-1998002741-A9 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES 1998-05-22 WO claimed
WO-1998002741-A1 QUINOLINE DERIVATIVES AND QUINOLINE COMBINATORIAL LIBRARIES TREGA BIOSCIENCES, INC. (US) 1998-01-22 WO claimed
EP-0006458-B1 N1-BENZOYL-N2-PHENYL-1,3-DIAMINOPROPANE-2-OLS AND THEIR SALTS, PROCESS FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM Kali-Chemie Pharma GmbH (DE) 1981-10-07 EP claimed
US-4271193-A PROPHYLAXIS AND TREATMENT OF GASTRITIS KALI-CHEMIE PHARMA GMBH (DE) 1981-06-02 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 (3 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-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 ALDH1A1 1413/4885L3MBTL1 4015/4885KDM4E 3576/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 ALDH1A1 1413/4885L3MBTL1 4015/4885KDM4E 3576/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 ALDH1A1 1157/4885L3MBTL1 4026/4885KDM4E 2191/4885

“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.