SCHEMBL5846357

SCHEMBL5846357

CC(=O)C(Oc1ccc(C(C)C)cc1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
LDHA P00338 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
POLB P06746 2/20 0.42
HPGD P15428 1/20 0.41
XBP1 P17861 1/20 0.41
ACACB O00763 3/20 0.41
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ACACA Q13085 1/20 0.41
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
HIF1A Q16665 1/20 0.40
PARP10 Q53GL7 1/20 0.40

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
SCHEMBL3438781 0.84 KMT2A (0.46) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL3782978 0.82 PPARA (0.47) KMT2AMEN1LDHAPOLBHPGD
SCHEMBL6712994 0.78 RAB9A (0.48) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL11519440 0.76 CYP1A2 (0.65) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Acetone SCHEMBL11207944 0.75 RAB9A (0.49) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL1714626 0.75 LMNA (0.59) RAB9AKMT2AMEN1SMN1; SMN2POLB
SCHEMBL11713639 0.74 PPARG (0.51) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL11142916 0.74 KMT2A (0.43) RAB9AKMT2AMEN1SMN1; SMN2RXRA
Hydrogen Peroxide SCHEMBL9578945 0.73 LMNA (0.57) RAB9AKMT2AMEN1SMN1; SMN2RXRA
SCHEMBL11791125 0.73 LMNA (0.57) RAB9AKMT2AMEN1SMN1; SMN2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9579325-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2017-02-28 US disclosed
US-20150126512-A1 Modulators Of TNF-Alpha Signaling GENZYME CORPORATION (US) 2015-05-07 US disclosed
US-8921547-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2014-12-30 US disclosed
US-20130310388-A1 Modulators of TNF-Alpha Signaling GENZYME CORPORATION (US) 2013-11-21 US disclosed
US-8518999-B2 Modulators of TNF-αsignaling GENZYME CORPORATION (US) 2013-08-27 US disclosed
US-20060173010-A1 Modulators of TNF-alpha signaling GENZYME 2006-08-03 US disclosed
US-7034031-B2 Modulators of TNF-α signaling GENZYME CORPORATION (US) 2006-04-25 US disclosed
US-6969728-B2 Antiinflammatory agents GENZYME CORPORATION (US) 2005-11-29 US disclosed
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer GENZYME CORPORATION 2004-09-02 US disclosed
EP-1294699-A2 MODULATORS OF TNF- ALPHA SIGNALLING GENZYME CORPORATION (US) 2003-03-26 EP disclosed
US-20020119988-A1 Antiinflammatory agents GENZYME CORPORATION 2002-08-29 US disclosed
WO-2001087849-A2 MODULATORS OF TNF- ALPHA SIGNALING GENZYME CORPORATION (US) 2001-11-22 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 (5 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-20020119988-A1 Antiinflammatory agents TNF, TNFRSF1A, CD40 RAB9A 4348/4885KMT2A 4724/4885MEN1 4184/4885
US-20040171617-A1 treatment for disorders and diseases, such as chronic inflammation, tissue breakdown and cancer TNF, TNFRSF1A, CD40 RAB9A 4193/4885KMT2A 4457/4885MEN1 3013/4885
US-20150126512-A1 Modulators Of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 RAB9A 3527/4885KMT2A 4648/4885MEN1 4382/4885
US-20060173010-A1 Modulators of TNF-alpha signaling TNF, TNFRSF1A, TNFRSF9 RAB9A 3527/4885KMT2A 4648/4885MEN1 4382/4885
US-20130310388-A1 Modulators of TNF-Alpha Signaling TNF, TNFRSF1A, TNFRSF9 RAB9A 3527/4885KMT2A 4648/4885MEN1 4382/4885

“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.