SCHEMBL771634

SCHEMBL771634

O=C(NCCCCC(=O)N1CCCC2CCCC=C21)NCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 4/20 0.48
NFE2L2 Q16236 4/20 0.48
EPHX1 P07099 4/20 0.45
CCR3 P51677 1/20 0.45
EPHX2 P34913 1/20 0.44
LMNA P02545 1/20 0.41
DRD4 P21917 1/20 0.41
FKBP1A P62942 2/20 0.41
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
HPGD P15428 1/20 0.40
PPID Q08752 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA4 P22748 1/20 0.39
CA5A P35218 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39

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
SCHEMBL771344 0.97 KEAP1 (0.46) KEAP1NFE2L2EPHX1CCR3EPHX2
SCHEMBL770429 0.93 EPHX1 (0.47) KEAP1NFE2L2EPHX1CCR3EPHX2
SCHEMBL770685 0.90 KEAP1 (0.42) KEAP1NFE2L2LMNAFKBP1AHPGD
SCHEMBL771768 0.87 CCR3 (0.47) EPHX1CCR3LMNA
SCHEMBL770059 0.85 EPHX2 (0.54) EPHX2
SCHEMBL769890 0.84 ATM (0.49) LMNADPP4HPGD
SCHEMBL770954 0.83 ALDH1A1 (0.42) LMNADPP4DPP8DPP7HPGD
SCHEMBL771993 0.82 MEN1 (0.51) EPHX2LMNAHPGD
SCHEMBL771263 0.81 EPHX1 (0.39) EPHX1EPHX2DPP4
SCHEMBL772293 0.81 DPP4 (0.56) CCR3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8822452-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2014-09-02 US disclosed
US-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2013-11-14 US disclosed
US-8524894-B2 Inhibitor compounds of 11-beta-hydroxysteroid dehydrogenase type 1 LABORATORIOS SALVAT, S.A. (ES) 2013-09-03 US disclosed
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 LABORATORIOS SALVAT, S.A. (ES) 2012-03-22 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 (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-20130303522-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KEAP1 431/4885NFE2L2 1015/4885EPHX1 227/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 KEAP1 441/4885NFE2L2 1047/4885EPHX1 232/4885

“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.