SCHEMBL18813664

SCHEMBL18813664

CCCCc1cc(-c2c(-c3ccccc3)cccc2-c2ccccc2)n[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.48
HCAR3 P49019 3/20 0.48
LMNA P02545 1/20 0.44
BRS3 P32247 7/20 0.42
COMT P21964 1/20 0.41
MME P08473 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PSMB5 P28074 1/20 0.39
PDE10A Q9Y233 1/20 0.38

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
SCHEMBL18106980 0.81 L3MBTL1 (0.54) HCAR2HCAR3LMNACOMTL3MBTL1
SCHEMBL2375495 0.76 L3MBTL1 (0.59) HCAR2HCAR3LMNACOMTMME
SCHEMBL18803867 0.74 GFER (0.41) LMNACOMTL3MBTL1
SCHEMBL17938569 0.73 HCAR2 (0.51) HCAR2HCAR3LMNA
SCHEMBL2375250 0.73 LMNA (0.55) LMNACOMTL3MBTL1CYP11B1CYP11B2
SCHEMBL14837466 0.72 HCAR2 (0.52) HCAR2HCAR3LMNA
SCHEMBL11789235 0.70 HCAR2 (0.48) HCAR2HCAR3LMNAMMEL3MBTL1
SCHEMBL18010760 0.70 HCAR2 (0.60) HCAR2HCAR3COMT
SCHEMBL7707048 0.69 PDCD1 (0.44) PSMB5
SCHEMBL2374361 0.69 LMNA (0.58) LMNACOMTL3MBTL1CYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9676693-B2 Bulky ligands and metal compounds comprising bulky ligands MARSHAK MICHAEL PESEK (US) 2017-06-13 US disclosed
US-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS MARSHAK MICHAEL PESEK (US) 2017-05-04 US 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 (1 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-20170121263-A1 BULKY LIGANDS AND METAL COMPOUNDS COMPRISING BULKY LIGANDS ACACB, ACACA, ZKSCAN2 HCAR2 1969/4885HCAR3 2846/4885LMNA 2531/4885

“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.