SCHEMBL3800355

SCHEMBL3800355

CCOC(=O)C(C)(C)c1cc(F)c(F)c(OCc2ccccc2)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.44
▸ MAOB P27338 1/20 0.42
▸ MMP8 P22894 1/20 0.41
▸ MRGPRX4 Q96LA9 5/20 0.40
▸ PTGER1 P34995 2/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ RXRA P19793 1/20 0.39
▸ RXRB P28702 1/20 0.39
▸ RXRG P48443 1/20 0.39

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
SCHEMBL3802206 0.83 MMP8 (0.43) MMP8MRGPRX4PTGER1NPC1BRD4
SCHEMBL23876184 0.82 ALDH1A1 (0.46) MAOB
SCHEMBL3794184 0.77 CNR2 (0.48) CNR2
SCHEMBL6036021 0.76 L3MBTL1 (0.58) MAOBRXRARXRB
SCHEMBL3798817 0.75 FFAR4 (0.48) MRGPRX4
SCHEMBL3799616 0.74 CNR2 (0.59) CNR2
SCHEMBL23876178 0.74 PTPN1 (0.45) —
SCHEMBL26096078 0.72 MAPT (0.51) MRGPRX4PTGER1NPC1
SCHEMBL4415445 0.72 CNR2 (0.44) CNR2
SCHEMBL31292288 0.72 MMP8 (0.41) CNR2MAOBMMP8NPC1

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-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 — — US claimed
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — US disclosed
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS LEAD THERAPEUTICS, INC. (US) 2010-04-29 — — US disclosed
US-20100029782-A1 Calcilytic Compounds SMITHKLINE BEECHAM CORPORATION (US) 2010-02-04 — — US disclosed
EP-2120898-A1 CALCILYTIC COMPOUNDS SmithKline Beecham Corporation (US) 2009-11-25 — — EP disclosed
WO-2008077009-A1 CALCILYTIC COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2008-06-26 — — 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 (2 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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB CNR2 1616/4885MAOB 2176/4885MMP8 1080/4885
US-20100105700-A1 DECAHYDRO-1H-INDENOQUINOLINONE AND DECAHYDRO-3H-CYCLOPENTAPHENANTHRIDINONE CYP17 INHIBITORS CYP17A1, HSD17B1, CYP21A2 CNR2 1540/4885MAOB 410/4885MMP8 2061/4885

“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.

Send feedback