SCHEMBL609838

SCHEMBL609838

CCC(C(=O)C=Cc1ccc(N(C)C)cc1OC)C(=O)C=Cc1ccc(N(C)C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 6/20 0.59
MAPT P10636 5/20 0.48
ALDH1A1 P00352 3/20 0.48
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
APP P05067 1/20 0.46
LY96 Q9Y6Y9 1/20 0.45
TNFRSF1A P19438 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
PTPN1 P18031 2/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.42
MMP9 P14780 1/20 0.42
USP2 O75604 1/20 0.42
TLR9 Q9NR96 1/20 0.42

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
SCHEMBL609837 1.00 BACE1 (0.59) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL3212534 0.82 BACE1 (0.81) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL3212560 0.82 BACE1 (0.81) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL608124 0.76 BACE1 (0.58) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL608125 0.76 BACE1 (0.58) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL607686 0.75 HSD17B3 (0.62) MAPTALDH1A1MEN1KMT2AAPP
SCHEMBL607685 0.75 HSD17B3 (0.62) MAPTALDH1A1MEN1KMT2AAPP
SCHEMBL610934 0.75 BACE1 (0.49) BACE1
SCHEMBL610935 0.75 BACE1 (0.49) BACE1
SCHEMBL3207902 0.74 BACE1 (1.00) BACE1MAPTAPPMMP9

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 7 patents. 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 disclosed
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2021-05-13 US disclosed
US-10874766-B2 Compounds and matrices for use in bone growth and repair HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2020-12-29 US disclosed
EP-3038621-B1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RES INSTITUTE (US) 2020-12-02 EP disclosed
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2016-02-11 US disclosed
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2012-02-16 US disclosed
WO-2010068935-A2 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE HUMAN BIOMOLECULAR RESEARCH INSTITUTE (US) 2010-06-17 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 (5 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-10874766-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 BACE1 1942/4885MAPT 4729/4885ALDH1A1 1461/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 BACE1 2083/4885MAPT 4739/4885ALDH1A1 1413/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 BACE1 2083/4885MAPT 4739/4885ALDH1A1 1413/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 BACE1 2700/4885MAPT 4725/4885ALDH1A1 1157/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG BACE1 435/4885MAPT 8/4885ALDH1A1 1253/4885

“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.