SCHEMBL913480

SCHEMBL913480

COC(=O)c1cc2c(OCC(C)(C)C)cccc2[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.53
▸ CYP2D6 P10635 2/20 0.53
▸ ALDH1A1 P00352 1/20 0.53
▸ CYP1A2 P05177 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ SRD5A2 P31213 1/20 0.50
▸ FLT3 P36888 2/20 0.47
▸ RAB9A P51151 2/20 0.46
▸ POLB P06746 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ GLA P06280 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ RCE1 Q9Y256 1/20 0.45
▸ ULK1 O75385 1/20 0.44
▸ MAPT P10636 2/20 0.44
▸ LMNA P02545 1/20 0.44
▸ PKM P14618 1/20 0.44
▸ HTT P42858 1/20 0.44

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
SCHEMBL914544 0.87 SRD5A2 (0.66) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL7044742 0.85 SRD5A2 (0.53) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL217459 0.82 FLT3 (0.66) KDM4EFLT3RAB9APOLBNPC1
SCHEMBL12874793 0.82 SRD5A2 (0.50) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL12388663 0.82 CYP2D6 (0.59) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL25077801 0.81 SRD5A2 (0.49) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL6595625 0.81 SRD5A2 (0.77) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL31158902 0.79 FLT3 (0.49) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL6308070 0.79 FLT3 (0.51) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10
SCHEMBL12388665 0.78 CYP2D6 (0.53) KDM4ECYP2D6ALDH1A1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183366-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2012-05-22 — — US disclosed
CN-102391251-A Chemokine receptor antagonists NOVARTIS AG 2012-03-28 — — CN disclosed
US-20110015180-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2011-01-20 — — US disclosed
US-7858781-B2 Chemokine receptor antagonists NOVARTIS AG (CH) 2010-12-28 — — US disclosed
EP-1720859-B1 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2009-12-23 — — EP disclosed
US-20070155721-A1 Chemokine receptor antagonists NOVARTIS AG (CH) 2007-07-05 — — US disclosed
CN-1946713-A Chemokine receptor antagonists NOVARTIS AG (CH) 2007-04-11 — — CN disclosed
EP-1720859-A2 CHEMOKINE RECEPTOR ANTAGONISTS Novartis AG (CH) 2006-11-15 — — EP disclosed
WO-2005077932-A2 CHEMOKINE RECEPTOR ANTAGONISTS NOVARTIS AG (CH) 2005-08-25 — — 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 (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-20110015180-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4266/4885CYP2D6 811/4885ALDH1A1 1647/4885
US-20070155721-A1 Chemokine receptor antagonists ACKR3, CXCR2, CXCR4 KDM4E 4275/4885CYP2D6 841/4885ALDH1A1 1732/4885

“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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