SCHEMBL15869849

SCHEMBL15869849

CCOC(=O)c1cc(-c2cc(OC)ccc2OC)n(Cc2ccc(OC)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 3/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ LMNA P02545 2/20 0.47
▸ NPSR1 Q6W5P4 2/20 0.47
▸ USP2 O75604 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ TP53 P04637 1/20 0.45
▸ GLA P06280 1/20 0.45
▸ MAPK1 P28482 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ UCHL1 P09936 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ FAAH O00519 2/20 0.43
▸ PDE4D Q08499 1/20 0.42
▸ POLB P06746 2/20 0.42

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
SCHEMBL15869845 0.89 FAAH (0.49) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15869846 0.83 FAAH (0.48) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22435184 0.82 MAPT (0.56) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22412886 0.81 MAPT (0.53) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15075363 0.81 MAPT (0.55) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9925007 0.80 MAPT (0.54) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL27215188 0.80 MAPT (0.54) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL20600060 0.79 MAPT (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL15869850 0.79 ALDH1A1 (0.52) MAPTALDH1A1KDM4EHPGDHSD17B10
SCHEMBL22613715 0.78 FAAH (0.51) MAPTALDH1A1KDM4EHPGDTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 — — US disclosed
US-9078899-B2 Pyrazolyl-based carboxamides II GRUENENTHAL GMBH (DE) 2015-07-14 — — US disclosed
WO-2014108336-A1 PYRAZOLYL-BASED CARBOXAMIDES II AS CRAC CHANNEL INHIBITORS Grünenthal GmbH (DE) 2014-07-17 — — WO disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 — — US disclosed
US-20140194452-A1 Pyrazolyl-Based Carboxamides II Grünenthal GmbH (DE) 2014-07-10 — — US 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-20140194452-A1 Pyrazolyl-Based Carboxamides II AADAC, VDAC2, NLRP3 MAPT 3740/4885ALDH1A1 2400/4885KDM4E 2196/4885

“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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