SCHEMBL771622

SCHEMBL771622

O=C1CCN(C(=O)CCCCC(=O)N2CCC3CCCC=C3C2)C2=CCCCC12

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
RAB9A P51151 1/20 0.30

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
SCHEMBL770647 0.85 HDAC3 (0.35) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL770307 0.84 LMNA (0.33) LMNAMAPT
SCHEMBL770401 0.83 LMNA (0.39) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL769644 0.83 NPC1 (0.35) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL769789 0.81 NPC1 (0.42) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL770335 0.80 HDAC3 (0.39) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL770350 0.80 LMNA (0.31) LMNAHPGDMAPK1SMN1; SMN2
SCHEMBL770768 0.79 ITGB3 (0.41) HDAC3HDAC1HDAC10HDAC11ALDH1A1
SCHEMBL771969 0.79 KMT2A (0.44) ALDH1A1HPGDHTTSMN1; SMN2RAB9A
SCHEMBL771656 0.78 MAPK1 (0.36) ALDH1A1LMNAMAPTHPGDMAPK1

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 HDAC3 1439/4885HDAC1 301/4885HDAC10 1612/4885
US-20120071466-A1 INHIBITOR COMPOUNDS OF 11-BETA-HYDROXYSTEROID DEHYDROGENASE TYPE 1 HSD11B1, HSD17B1, HSD11B2 HDAC3 1448/4885HDAC1 304/4885HDAC10 1646/4885

“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.