SCHEMBL12106903

SCHEMBL12106903

CCCC(=O)NC1=CC(=Nc2ccc(N(CC)CC)cc2)C(C)=C(Cl)C1=O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC7 Q8WUI4 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC10 Q969S8 1/20 0.37
HDAC11 Q96DB2 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
HDAC9 Q9UKV0 1/20 0.37
HDAC5 Q9UQL6 1/20 0.37
TDP2 O95551 1/20 0.37
PAX8 Q06710 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
TLR9 Q9NR96 1/20 0.37
ALDH1A1 P00352 3/20 0.36
MAPT P10636 5/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34

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
SCHEMBL12106917 0.92 MAPT (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL12106921 0.88 ALDH1A1 (0.38) ALDH1A1MAPTCNR2L3MBTL1MEN1
SCHEMBL12106911 0.88 GHSR (0.36) ALDH1A1MAPTCA12CA1CA2
SCHEMBL12106922 0.85 CNR2 (0.40) ALDH1A1MAPTCNR2L3MBTL1MEN1
SCHEMBL92428 0.85 MAPT (0.39) ALDH1A1MAPTL3MBTL1MEN1NPC1
SCHEMBL12106904 0.85 CNR2 (0.41) PAX8ALDH1A1MAPTCNR2L3MBTL1
SCHEMBL12106906 0.84 GHSR (0.36) ALDH1A1MAPTCNR2L3MBTL1MEN1
SCHEMBL14157756 0.84 ESRRG (0.43) HDAC6TDP2PAX8HKDC1ALDH1A1
SCHEMBL12106907 0.83 MAPT (0.32) ALDH1A1MAPTCNR2L3MBTL1MEN1
SCHEMBL56041 0.82 RORC (0.32) CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8052785-B2 Polymer containing image receiver sheet on support FUJIFILM CORPORATION (JP) 2011-11-08 US disclosed
US-20080242542-A1 INDANILINE DYE, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, AND COLOR FILTER FUJIFILM CORPORATION (JP) 2008-10-02 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 (1 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-20080242542-A1 INDANILINE DYE, THERMAL TRANSFER RECORDING INK SHEET, THERMAL TRANSFER RECORDING METHOD, COLOR TONER, INKJET INK, AND COLOR FILTER INMT, TYR, IK HDAC3 2186/4885HDAC4 1714/4885HDAC1 982/4885

“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.