SCHEMBL770647

SCHEMBL770647

O=C(CCCCC(=O)N1CCCC2CCCC=C21)N1CCC2CCCC=C2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HPGD P15428 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.32
▸ POLB P06746 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ KMT2A Q03164 2/20 0.31

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
SCHEMBL769644 0.98 NPC1 (0.35) HDAC3HDAC1HDAC10HDAC11HTT
SCHEMBL770350 0.95 LMNA (0.31) LMNAHPGDMAPK1SMN1; SMN2POLB
SCHEMBL770401 0.89 LMNA (0.39) HDAC3HDAC1HDAC10HDAC11HTT
SCHEMBL770034 0.88 PDE4B (0.31) —
SCHEMBL769789 0.86 NPC1 (0.42) HDAC3HDAC1HDAC10HDAC11HTT
SCHEMBL770945 0.86 NAAA (0.36) HTTLMNAMAPTPOLBCYP1A2
SCHEMBL771622 0.85 HDAC3 (0.34) HDAC3HDAC1HDAC10HDAC11HTT
SCHEMBL770768 0.84 ITGB3 (0.41) HDAC3HDAC1HDAC10HDAC11HTT
SCHEMBL771969 0.84 KMT2A (0.44) HTTALDH1A1HPGDSMN1; SMN2NPC1
SCHEMBL770658 0.84 KMT2A (0.44) HTTALDH1A1HPGDMAPTSMN1; SMN2

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.

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