SCHEMBL5546790

SCHEMBL5546790

CN(CCCCC(=O)O)c1ccccc1C=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC3 O15379 3/20 0.40
HDAC4 P56524 3/20 0.40
HDAC1 Q13547 3/20 0.40
HDAC7 Q8WUI4 3/20 0.40
HDAC10 Q969S8 3/20 0.40
HDAC11 Q96DB2 3/20 0.40
HDAC9 Q9UKV0 3/20 0.40
HDAC5 Q9UQL6 3/20 0.40
KDM4A O75164 2/20 0.40
KDM4C Q9H3R0 2/20 0.40
MAPT P10636 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
MAPK1 P28482 1/20 0.39
ADRA1A P35348 1/20 0.39
SLC6A3 Q01959 1/20 0.39
SMN1; SMN2 Q16637 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
SCHEMBL7544897 0.95 FFAR4 (0.41) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL5549984 0.80 PTGDR2 (0.45) MAPTRXFP1PTGDR2FFAR4
SCHEMBL5551206 0.79 PTGDR2 (0.44) KDM4AKDM4CMAPTRXFP1PTGDR2
SCHEMBL2532490 0.79 LMNA (0.41) MAPTADRA1ASLC6A3SMN1; SMN2NPSR1
SCHEMBL7293971 0.79 TDP1 (0.41) MAPTSMN1; SMN2NPSR1
SCHEMBL9157004 0.78 MEN1 (0.38) PTGDR2SMN1; SMN2
SCHEMBL9649996 0.77 RAD52 (0.42) MAPK1SMN1; SMN2LTA4H
SCHEMBL14521051 0.77 MEN1 (0.43) MAPTPTGDR2SMN1; SMN2
SCHEMBL17598200 0.77 MMP14 (0.50) HDAC2HDAC8HDAC6HDAC3HDAC4
SCHEMBL5549429 0.76 ALDH1A1 (0.51) MAPTSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1760054-A2 Process for producing cyclic compound Takeda Pharmaceutical Company Limited (JP) 2007-03-07 EP disclosed
US-7038042-B2 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2006-05-02 US disclosed
US-20050096475-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-05-05 US disclosed
US-6864367-B2 Process for producing cyclic compound TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2005-03-08 US disclosed
US-20030040632-A1 Process for producing cyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2003-02-27 US disclosed
EP-1266881-A1 PROCESS FOR PRODUCING CYCLIC COMPOUND Takeda Chemical Industries, Ltd. (JP) 2002-12-18 EP 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-20030040632-A1 Process for producing cyclic compound CTH, DOHH, SLC39A11 HDAC2 726/4885HDAC8 1811/4885HDAC6 2538/4885
US-20050096475-A1 Process for producing cyclic compound SLC39A11, CYP4F11, WEE1 HDAC2 788/4885HDAC8 1701/4885HDAC6 2918/4885

“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.