SCHEMBL13873134

SCHEMBL13873134

CC(C)(C)NC(=O)N1CCCC(C(=O)NCc2ccc3c(c2)OCCO3)C1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 3/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ ALDH1A1 P00352 6/20 0.54
▸ MEN1 O00255 3/20 0.54
▸ KMT2A Q03164 3/20 0.54
▸ L3MBTL1 Q9Y468 2/20 0.54
▸ MAPT P10636 2/20 0.51
▸ TP53 P04637 1/20 0.51
▸ THRB P10828 1/20 0.51
▸ LMNA P02545 1/20 0.49
▸ RECQL P46063 2/20 0.49
▸ HTT P42858 1/20 0.49
▸ RAB9A P51151 1/20 0.48
▸ ALK Q9UM73 1/20 0.48
▸ ALOX15 P16050 1/20 0.48
▸ TSHR P16473 1/20 0.48

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
SCHEMBL13873123 0.88 POLB (0.60) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL13873402 0.80 ALDH1A1 (0.59) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14413332 0.74 GAA (0.60) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL28351204 0.72 ALDH1A1 (0.69) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL14514796 0.71 HTR6 (0.49) POLBALDH1A1TP53THRBLMNA
Hydrochloric Acid SCHEMBL695050 0.71 POLB (0.50) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL2472949 0.69 KMT2A (0.76) POLBALDH1A1KMT2AL3MBTL1TP53
SCHEMBL29243751 0.68 ALDH1A1 (0.54) POLBMAPK1ALDH1A1MEN1KMT2A
SCHEMBL15022357 0.68 RAB9A (0.77) POLBALDH1A1KMT2AL3MBTL1MAPT
SCHEMBL3567932 0.68 CYP1A2 (0.63) POLBMAPK1ALDH1A1MEN1KMT2A

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 1775/4885MAPK1 4561/4885ALDH1A1 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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