SCHEMBL13521690

SCHEMBL13521690

COC(=O)CCC(=O)N(CCN)Cc1ccc(CN(CCN)C(=O)CCC(=O)OC)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 5/20 0.46
▸ HDAC1 Q13547 5/20 0.46
▸ HDAC2 Q92769 5/20 0.46
▸ HDAC6 Q9UBN7 5/20 0.46
▸ HDAC4 P56524 4/20 0.46
▸ HDAC7 Q8WUI4 4/20 0.46
▸ HDAC10 Q969S8 4/20 0.46
▸ HDAC11 Q96DB2 4/20 0.46
▸ HDAC8 Q9BY41 4/20 0.46
▸ HDAC9 Q9UKV0 4/20 0.46
▸ HDAC5 Q9UQL6 4/20 0.46
▸ NCOR2 Q9Y618 1/20 0.44
▸ TSHR P16473 2/20 0.43
▸ OPRM1 P35372 1/20 0.43
▸ OPRD1 P41143 1/20 0.43
▸ USP2 O75604 1/20 0.43
▸ MC4R P32245 2/20 0.42
▸ MC3R P41968 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ LMNA P02545 1/20 0.41

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
SCHEMBL25501979 0.94 HDAC1 (0.43) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL14703487 0.91 HDAC3 (0.48) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL13521693 0.81 USP2 (0.50) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL25495976 0.80 FOLH1 (0.38) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL23080794 0.80 HDAC3 (0.42) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL13933352 0.80 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
Hydrochloric Acid SCHEMBL23270114 0.80 HDAC3 (0.41) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL13521700 0.79 TPSAB1 (0.49) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL13521689 0.78 TPSAB1 (0.47) HDAC3HDAC1HDAC2HDAC6HDAC4
SCHEMBL13919712 0.77 TPSAB1 (0.47) HDAC3HDAC1HDAC2HDAC6HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. (US) 2013-02-14 — — US disclosed
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS ALLACCEM, INC. 2010-01-21 — — US disclosed
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY ALLACCEM, INC. 2010-01-07 — — US disclosed
US-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans ALLACCEM, INC. 2009-04-23 — — US disclosed
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION ALLACCEM, INC. 2009-03-19 — — US disclosed
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets ALLACCEM, INC. 2009-03-12 — — US disclosed
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets ALLACCEM, INC. 2009-02-26 — — US disclosed
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE ALLACCEM, INC. 2008-11-06 — — 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 (8 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-20090105262-A1 Bridged polycyclic compound based compositions for coating oral surfaces in humans PAICS, KRTCAP2, OSTC HDAC3 2711/4885HDAC1 758/4885HDAC2 1406/4885
US-20090069435-A1 Bridged polycyclic compound based compositions for topical applications for pets OTC, SLC16A8, SLC16A7 HDAC3 3614/4885HDAC1 857/4885HDAC2 2576/4885
US-20090054528-A1 Bridged polycyclic compound based compositions for coating oral surfaces in pets PAICS, SLC16A8, CAD HDAC3 3046/4885HDAC1 480/4885HDAC2 1156/4885
US-20100016270-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING CHOLESTEROL LEVELS PCSK9, HMGCR, CETP HDAC3 871/4885HDAC1 715/4885HDAC2 2082/4885
US-20130040924-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 HDAC3 2094/4885HDAC1 448/4885HDAC2 1775/4885
US-20100004218-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR RENAL THERAPY PKD1, PKD2, PAICS HDAC3 3230/4885HDAC1 2165/4885HDAC2 3879/4885
US-20090074833-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR CONTROLLING BONE RESORPTION BMP2, BMP1, BMP6 HDAC3 761/4885HDAC1 639/4885HDAC2 1337/4885
US-20080275141-A1 BRIDGED POLYCYCLIC COMPOUND BASED COMPOSITIONS FOR THE INHIBITION AND AMELIORATION OF DISEASE PKD1, VHL, PKD2 HDAC3 2094/4885HDAC1 448/4885HDAC2 1775/4885

“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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