SCHEMBL4074495

SCHEMBL4074495

CC(=O)OCc1cc(C)ncc1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 4/20 0.38
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
LMNA P02545 1/20 0.34

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
SCHEMBL11015127 0.88 SMN1; SMN2 (0.39) HSD17B10KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL11013415 0.83 SMN1; SMN2 (0.37) HSD17B10KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL11011350 0.83 SMN1; SMN2 (0.37) HSD17B10KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL11010670 0.81 SMN1; SMN2 (0.36) HSD17B10KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL11011787 0.78 SMN1; SMN2 (0.36) HSD17B10KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL9731794 0.77 HSD17B10 (0.46) HSD17B10KDM4ESMN1; SMN2ALDH1A1CYP3A4
SCHEMBL16556351 0.77 CYP3A4 (0.39) CYP3A4POLBMAPTKMT2ALMNA
SCHEMBL11008529 0.76 SMN1; SMN2 (0.35) HSD17B10KDM4ESMN1; SMN2RXFP1ALDH1A1
SCHEMBL13034088 0.76 HSD17B10 (0.45) HSD17B10KDM4ESMN1; SMN2ALDH1A1CYP3A4
SCHEMBL10496086 0.73 NOS3 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 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 (3 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-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HSD17B10 2388/4885KDM4E 4709/4885SMN1; SMN2 4802/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 HSD17B10 3421/4885KDM4E 4665/4885SMN1; SMN2 4697/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 HSD17B10 2388/4885KDM4E 4709/4885SMN1; SMN2 4802/4885

“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.