SCHEMBL15869845

SCHEMBL15869845

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.49
▸ TP53 P04637 1/20 0.48
▸ MAPT P10636 4/20 0.47
▸ POLB P06746 1/20 0.46
▸ TDP1 Q9NUW8 2/20 0.44
▸ THRB P10828 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ GAA P10253 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ ELANE P08246 1/20 0.43
▸ LMNA P02545 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MEN1 O00255 1/20 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
SCHEMBL15869849 0.89 MAPT (0.48) FAAHTP53MAPTPOLBTDP1
SCHEMBL15869846 0.87 FAAH (0.48) FAAHTP53MAPTPOLBTDP1
SCHEMBL14800200 0.86 MAPT (0.53) FAAHTP53MAPTPOLBTDP1
SCHEMBL14800388 0.82 FAAH (0.45) FAAHTP53MAPTPOLBTDP1
SCHEMBL14799953 0.81 MARS1 (0.49) FAAHTP53MAPTTDP1KMT2A
SCHEMBL21607427 0.81 FAAH (0.44) FAAHTP53MAPTPOLBTDP1
SCHEMBL14800012 0.81 FAAH (0.44) FAAHTP53MAPTPOLBTDP1
SCHEMBL15862431 0.78 ALDH1A1 (0.47) TP53MAPTKMT2AALDH1A1HSD17B10
SCHEMBL21605634 0.77 FAAH (0.43) FAAHTP53MAPTPOLBTDP1
SCHEMBL15868155 0.74 MAPT (0.44) FAAHMAPTTDP1KMT2AALDH1A1

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 FAAH 1408/4885TP53 2705/4885MAPT 3740/4885

“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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