SCHEMBL3277574

SCHEMBL3277574

O=C(Cl)CCCCCCCCCCOc1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 10/20 0.65
HDAC2 Q92769 10/20 0.65
KCNA3 P22001 1/20 0.59
HDAC3 O15379 7/20 0.57
HDAC4 P56524 7/20 0.57
HDAC7 Q8WUI4 7/20 0.57
HDAC10 Q969S8 7/20 0.57
HDAC11 Q96DB2 7/20 0.57
HDAC8 Q9BY41 7/20 0.57
HDAC6 Q9UBN7 7/20 0.57
HDAC9 Q9UKV0 7/20 0.57
HDAC5 Q9UQL6 7/20 0.57
PPARA Q07869 2/20 0.54

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
SCHEMBL6641305 0.98 HDAC1 (0.62) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL351889 0.92 KCNA3 (0.58) HDAC1HDAC2KCNA3
SCHEMBL1308374 0.86 CYP1A2 (0.58) HDAC1HDAC2KCNA3
SCHEMBL7367452 0.86 HDAC1 (0.69) HDAC1HDAC2HDAC3HDAC4HDAC7
SCHEMBL25228768 0.85 PPARA (0.72) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL11616532 0.85 PPARA (0.72) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL712775 0.85 PPARA (0.72) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL6342300 0.85 PPARA (0.72) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL503552 0.85 PPARA (0.72) HDAC1HDAC2KCNA3HDAC3HDAC4
SCHEMBL1008297 0.85 PPARA (0.72) HDAC1HDAC2KCNA3HDAC3HDAC4

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-RE41226-E1 Compounds having reversible inhibiting activity of carnitine palmitoyl-transferase SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2010-04-13 US disclosed
US-RE40861-E1 Compounds having reversible inhibiting activity of carnitine palmitoyl-transferase Sigma-Tau Industrie Farmaceutiche Reunite S.p.A. (IT) 2009-07-21 US disclosed
EP-1077925-B1 COMPOUNDS HAVING REVERSIBLE INHIBITING ACTIVITY OF CARNITINE PALMITOYL-TRANSFERASE SIGMA TAU IND FARMACEUTI (IT) 2004-09-15 EP disclosed
US-20020161030-A1 Sulpur derivatives containing a retroamide bond as inhibitors of endothelin-converting enzymes HOECHST MARION ROUSSEL 2002-10-31 US disclosed
US-6444701-B1 TREATING HYPERGLYCEMIA, DIABETES AND PATHOLOGIES RELATED THERETO, HEART FAILURE, ISCHEMIA. SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-09-03 US disclosed
US-6420341-B1 TREATING VASOCONSTRICTOR AND HYPERTENSION EFFECTS IN WARM-BLOODED ANIMALS AVENTIS PHARMA S.A. (FR) 2002-07-16 US disclosed
US-20020052348-A1 Compounds having reversible inhibiting activity of carnitine palmitoyl-transferase SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. 2002-05-02 US disclosed
US-6369073-B1 HYPERGLYCEMIA, DIABETES, HEART FAILURE, ISCHEMIA SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2002-04-09 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-20020052348-A1 Compounds having reversible inhibiting activity of carnitine palmitoyl-transferase CPT1A, CPT1B, CPT2 HDAC1 72/4885HDAC2 406/4885KCNA3 2568/4885
US-20020161030-A1 Sulpur derivatives containing a retroamide bond as inhibitors of endothelin-converting enzymes EDNRA, ECE1, EDNRB HDAC1 3098/4885HDAC2 3395/4885KCNA3 3873/4885

“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.