SCHEMBL608124

SCHEMBL608124

COc1cc(N(C)C)ccc1/C=C/C(=O)/C=C(O)/C=C/c1ccc(N(C)C)cc1OC

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 5/20 0.58
MAPT P10636 3/20 0.57
ALDH1A1 P00352 2/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
GSK3B P49841 2/20 0.50
JUN P05412 3/20 0.49
FOS P01100 1/20 0.49
CAPN1 P07384 1/20 0.48
CTSB P07858 1/20 0.48
PTGS2 P35354 1/20 0.48
NFE2L2 Q16236 2/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NFKB1 P19838 1/20 0.47
TFEB P19484 1/20 0.47
HDAC1 Q13547 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC8 Q9BY41 1/20 0.46

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
SCHEMBL608125 1.00 BACE1 (0.58) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL10061348 0.88 BACE1 (0.53) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL609790 0.82 APP (0.67) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL3212560 0.82 BACE1 (0.81) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL3212534 0.82 BACE1 (0.81) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL609791 0.82 APP (0.67) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL609604 0.77 NFE2L2 (0.78) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL609603 0.77 NFE2L2 (0.78) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL609837 0.76 BACE1 (0.59) BACE1MAPTALDH1A1MEN1KMT2A
SCHEMBL609838 0.76 BACE1 (0.59) BACE1MAPTALDH1A1MEN1KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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 (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-10874766-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 BACE1 1942/4885MAPT 4729/4885ALDH1A1 1461/4885
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.