SCHEMBL16844565

SCHEMBL16844565

CC(=O)c1ccc(C)c2occc12

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KCNA3 P22001 10/20 0.41
NPC1 O15118 1/20 0.37
POLB P06746 1/20 0.37
PKM P14618 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35
NCOA3 Q9Y6Q9 1/20 0.35
MAPT P10636 1/20 0.35
CREBBP Q92793 1/20 0.35

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
SCHEMBL12597489 0.85 RARA (0.40) SMN1; SMN2KDM4EALDH1A1HPGD
SCHEMBL9479581 0.81 GAA (0.39) KCNA3KDM4EALDH1A1HPGDMAPT
SCHEMBL16844527 0.80 KCNA3 (0.40) KCNA3
SCHEMBL16844587 0.80 KCNA3 (0.40) KCNA3KDM4EALDH1A1HPGDMAPT
SCHEMBL12126790 0.78 TSHR (0.47) POLBKDM4EALDH1A1HPGDMAPT
SCHEMBL21951041 0.77 KCNA3 (0.38) KCNA3KDM4EALDH1A1HPGDMAPT
SCHEMBL31120928 0.75 CYP1A2 (0.39) KCNA3POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL806473 0.75 CYP1A2 (0.39) KCNA3POLBSMN1; SMN2KDM4EALDH1A1
SCHEMBL30911911 0.73 KCNA3 (0.40) KCNA3POLBMAPTCREBBP
SCHEMBL21950946 0.73 KCNA3 (0.40) KCNA3RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160311791-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTOGONISTS FOR THE TREATMENT OF OSTEOPOSOSIS MERCK SHARP & DOHME CORP. (US) 2016-10-27 US disclosed
WO-2015089842-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS FOR THE TREATMENT OF OSTEOPOROSIS MERCK SHARP & DOHME CORP. (US) 2015-06-25 WO disclosed
WO-2015095261-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTAGONISTS MERCK SHARP & DOHME CORP. (US) 2015-06-25 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 (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-20160311791-A1 NOVEL TRICYCLIC CALCIUM SENSING RECEPTOR ANTOGONISTS FOR THE TREATMENT OF OSTEOPOSOSIS CASR, CALCR, CALCRL KCNA3 1934/4885NPC1 1971/4885POLB 4847/4885

“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.