SCHEMBL610559

SCHEMBL610559

O=C(/C=C(O)/C=C/c1ccc(C(F)(F)F)cc1)/C=C/c1ccc(C(F)(F)F)cc1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.77
GSK3B P49841 3/20 0.64
BACE1 P56817 3/20 0.64
TLR9 Q9NR96 1/20 0.64
FOS P01100 1/20 0.62
JUN P05412 1/20 0.62
HDAC3 O15379 1/20 0.60
ADAM17 P78536 1/20 0.60
HDAC1 Q13547 1/20 0.60
HDAC2 Q92769 1/20 0.60
HDAC10 Q969S8 1/20 0.60
HDAC11 Q96DB2 1/20 0.60
HDAC8 Q9BY41 1/20 0.60
HDAC6 Q9UBN7 1/20 0.60
HDAC5 Q9UQL6 1/20 0.60
CYP1A1 P04798 5/20 0.55
CYP1B1 Q16678 5/20 0.55
MAOB P27338 4/20 0.55
P4HB P07237 1/20 0.54
MAOA P21397 2/20 0.50

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
SCHEMBL610560 1.00 CYP1A2 (0.77) CYP1A2GSK3BBACE1TLR9FOS
SCHEMBL20586571 1.00 CYP1A2 (0.77) CYP1A2GSK3BBACE1TLR9FOS
SCHEMBL10061357 0.92 FOS (0.77) CYP1A2GSK3BBACE1TLR9FOS
SCHEMBL31258594 0.87 CYP1A2 (1.00) CYP1A2JUNHDAC3ADAM17HDAC1
SCHEMBL8781296 0.87 CYP1A2 (1.00) CYP1A2JUNHDAC3ADAM17HDAC1
SCHEMBL8781291 0.87 CYP1A2 (1.00) CYP1A2JUNHDAC3ADAM17HDAC1
SCHEMBL11971113 0.84 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL11971119 0.84 CYP1A2 (0.86) CYP1A2HDAC3ADAM17HDAC1HDAC2
SCHEMBL4301293 0.83 CYP1A2 (0.77) CYP1A2GSK3BBACE1TLR9FOS
SCHEMBL10467116 0.83 CYP1A2 (0.83) CYP1A2HDAC3ADAM17HDAC1HDAC2

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 9 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
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 (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 CYP1A2 4169/4885GSK3B 920/4885BACE1 1942/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 CYP1A2 4071/4885GSK3B 918/4885BACE1 2083/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CYP1A2 4071/4885GSK3B 918/4885BACE1 2083/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CYP1A2 4414/4885GSK3B 998/4885BACE1 2700/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG CYP1A2 4526/4885GSK3B 3394/4885BACE1 435/4885

“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.