SCHEMBL13873123

SCHEMBL13873123

CC(C)(C)NC(=O)N1CCC(C(=O)NCc2ccc3c(c2)OCCO3)CC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 4/20 0.60
▸ GAA P10253 2/20 0.60
▸ ALDH1A1 P00352 7/20 0.55
▸ LMNA P02545 2/20 0.55
▸ KDM4E B2RXH2 2/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ MEN1 O00255 1/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.53
▸ PKM P14618 3/20 0.51
▸ L3MBTL1 Q9Y468 1/20 0.51
▸ RXFP1 Q9HBX9 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ MAPK1 P28482 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL13873134 0.88 POLB (0.58) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL14413332 0.84 GAA (0.60) POLBGAAALDH1A1LMNAKDM4E
SCHEMBL13873385 0.79 POLB (0.67) POLBGAAALDH1A1LMNAKDM4E
SCHEMBL13873125 0.78 ALDH1A1 (0.66) ALDH1A1LMNAKMT2ASMN1; SMN2TSHR
SCHEMBL13873102 0.74 ALDH1A1 (0.66) POLBALDH1A1LMNAKMT2AMEN1
SCHEMBL2472949 0.74 KMT2A (0.76) POLBGAAALDH1A1LMNAKDM4E
SCHEMBL28351204 0.72 ALDH1A1 (0.69) POLBGAAALDH1A1LMNAKDM4E
SCHEMBL17140257 0.72 KEAP1 (0.51) POLBALDH1A1LMNAL3MBTL1MAPK1
SCHEMBL27035912 0.70 KEAP1 (0.49) POLBLMNA
SCHEMBL14342789 0.70 GAA (0.58) POLBGAAALDH1A1LMNAKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — US disclosed
US-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-04-30 — — 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-20090111791-A1 Soluble Epoxide Hydrolase Inhibitors and Methods of Using Same EPHX1, EPHX2, NCEH1 POLB 1775/4885GAA 735/4885ALDH1A1 385/4885

“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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