SCHEMBL610608

SCHEMBL610608

O=C(/C=C/c1ccc(O)cc1)C1CCC/C(=C/c2ccc(O)cc2)C1=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 3/20 0.50
F3 P13726 3/20 0.50
HSD11B1 P28845 2/20 0.50
GAA P10253 2/20 0.46
MGAM O43451 1/20 0.46
SI P14410 1/20 0.46
MGAM2 Q2M2H8 1/20 0.46
CYP3A4 P08684 2/20 0.45
CYP1A2 P05177 1/20 0.45
MITF O75030 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PTGS2 P35354 3/20 0.43
ACHE P22303 2/20 0.42
TYR P14679 2/20 0.41
CYP2D6 P10635 1/20 0.41
MIF P14174 2/20 0.41
AKR1B10 O60218 2/20 0.41
AKR1B1 P15121 2/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41

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
SCHEMBL610609 1.00 CYP2C9 (0.50) CYP2C9F3HSD11B1GAAMGAM
SCHEMBL608070 0.91 ACHE (0.56) CYP2C9F3HSD11B1GAAMGAM
Dimethylamine SCHEMBL17503198 0.91 MGAM (0.50) CYP2C9F3HSD11B1GAAMGAM
SCHEMBL608069 0.91 ACHE (0.56) CYP2C9F3HSD11B1GAAMGAM
SCHEMBL10061347 0.88 MAPT (0.49) CYP2C9F3GAAMGAMSI
SCHEMBL17503194 0.85 ACHE (0.60) CYP1A2MITFHSP90AA1PTGS2ACHE
SCHEMBL606630 0.84 PTGS2 (0.63) PTGS2ACHEMAPT
SCHEMBL606631 0.84 PTGS2 (0.63) PTGS2ACHEMAPT
SCHEMBL10061394 0.84 PTGS2 (0.63) PTGS2ACHEMAPT
Dimethylamine SCHEMBL17503196 0.84 MAPT (0.45) F3GAAMGAMSIMGAM2

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 CYP2C9 4743/4885F3 616/4885HSD11B1 2895/4885
US-11596716-B2 Compounds and matrices for use in bone growth and repair BMP2, BMP4, BMP6 CYP2C9 4659/4885F3 474/4885HSD11B1 2376/4885
US-20210138117-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CYP2C9 4659/4885F3 474/4885HSD11B1 2376/4885
US-20160038641-A1 COMPOUNDS AND MATRICES FOR USE IN BONE GROWTH AND REPAIR BMP2, BMP4, BMP6 CYP2C9 4850/4885F3 1014/4885HSD11B1 3669/4885
US-20120040976-A1 SMALL MOLECULE IMMUNOMODULATORS FOR ALZHEIMER'S DISEASE L1CAM, LY96, GMFG CYP2C9 4875/4885F3 4825/4885HSD11B1 4733/4885

“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.