SCHEMBL3801404

SCHEMBL3801404

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

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 5/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ SHBG P04278 1/20 0.35
▸ FBP1 P09467 2/20 0.32
▸ NR1H2 P55055 1/20 0.32
▸ NR1H3 Q13133 1/20 0.32
▸ CYP26A1 O43174 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ PTPN11 Q06124 1/20 0.31
▸ NPSR1 Q6W5P4 1/20 0.31
▸ ABCB11 O95342 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ HTR2A P28223 1/20 0.31
▸ PMP22 Q01453 1/20 0.31
▸ PPARA Q07869 1/20 0.31

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
SCHEMBL3799616 0.73 CNR2 (0.59) CNR2FBP1NR1H2NR1H3PTPN11
SCHEMBL3803384 0.73 SHBG (0.36) SHBGNR1H2NR1H3PTPN11CYP3A4
SCHEMBL2304083 0.68 CNR2 (0.36) CNR2FBP1POLB
SCHEMBL5364253 0.66 CA12 (0.58) NR1H2NR1H3PTPN11NPSR1CYP1A2
SCHEMBL3676379 0.66 MMP8 (0.42) NR1H2NR1H3
SCHEMBL30992540 0.65 MEN1 (0.36) CNR2FBP1POLBABCB11CYP1A2
SCHEMBL7498648 0.64 HDAC4 (0.39) POLBNPSR1TSHR
SCHEMBL9675476 0.63 MAPT (0.48) NPSR1CYP3A4TSHR
SCHEMBL9070698 0.63 MAPT (0.43) CYP2C9FBP1NPSR1ABCB11CYP1A2
SCHEMBL9234505 0.63 CES2 (0.43) FBP1POLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7902394-B2 Calcilytic compounds GLAXOSMITHKLINE LLC (US) 2011-03-08 — — 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 (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-20100029782-A1 Calcilytic Compounds CALCR, CALCA, CALCB CNR2 1616/4885CYP2C9 527/4885HSD17B10 2312/4885

“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.

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