SCHEMBL13612885

SCHEMBL13612885

OC1CCCc2cc(Br)cc(F)c21

nearest known ligand 0.34

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.31
KMT2A Q03164 1/20 0.31
HTR6 P50406 1/20 0.30
CYP11B1 P15538 1/20 0.30
CYP11B2 P19099 1/20 0.30
CAMK2A Q9UQM7 1/20 0.30

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
SCHEMBL29741125 0.89 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL16800617 0.89 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL16798084 0.89 CYP11B1 (0.37) CYP11B1CYP11B2
SCHEMBL6947201 0.82 HTR6 (0.33) UGT2B17HTR6CYP11B1CYP11B2
SCHEMBL31127749 0.79 EPAS1 (0.32) UGT2B17
SCHEMBL29740991 0.79 UGT2B17 (0.41) UGT2B17CAMK2A
SCHEMBL28959025 0.76 HTR6 (0.30) HTR6
SCHEMBL19534845 0.73 KDM1A (0.30)
SCHEMBL13451096 0.73 KDM1A (0.33) KMT2A
SCHEMBL24593510 0.72 UGT2B17 (0.49) UGT2B17KMT2ACYP11B1CYP11B2

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-7612243-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2009-11-03 US disclosed
US-7612243-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2009-11-03 US disclosed
US-20080058537-A1 CYCLOPENTA[B]NAPHTHALENE DERIVATIVES LIETZAU LARS 2008-03-06 US disclosed
US-20080058537-A1 CYCLOPENTA[B]NAPHTHALENE DERIVATIVES LIETZAU LARS 2008-03-06 US disclosed
US-7291366-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2007-11-06 US disclosed
US-7291366-B2 Cyclopenta[b]naphthalene derivatives MERCK PATENT GMBH (DE) 2007-11-06 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-20080058537-A1 CYCLOPENTA[B]NAPHTHALENE DERIVATIVES NUCB2, NDC1, JUP UGT2B17 2813/4885KMT2A 4706/4885HTR6 3821/4885

“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.