SCHEMBL5081086

SCHEMBL5081086

O=C(O)CCCCCCSc1ccccc1

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.85
HDAC1 Q13547 5/20 0.70
HDAC2 Q92769 5/20 0.70
HDAC3 O15379 4/20 0.70
HDAC4 P56524 4/20 0.70
HDAC7 Q8WUI4 4/20 0.70
HDAC10 Q969S8 4/20 0.70
HDAC11 Q96DB2 4/20 0.70
HDAC8 Q9BY41 4/20 0.70
HDAC6 Q9UBN7 4/20 0.70
HDAC9 Q9UKV0 4/20 0.70
HDAC5 Q9UQL6 4/20 0.70
PTGS2 P35354 1/20 0.55
FFAR1 O14842 1/20 0.53
MAPT P10636 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
MAPK1 P28482 2/20 0.52
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51

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
SCHEMBL7820281 1.00 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL710248 1.00 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8088391 1.00 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL3943933 1.00 ALDH1A1 (0.85) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL2351099 0.98 ALDH1A1 (0.89) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL1932191 0.92 ALDH1A1 (1.00) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4412163 0.85 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4408377 0.85 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL8364505 0.85 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC4
SCHEMBL4280874 0.85 ALDH1A1 (0.62) ALDH1A1HDAC1HDAC2HDAC3HDAC4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103889999-B Ion labeling for oligoribonucleotide synthesis 皇家学习促进学会/麦吉尔大学 2021-06-01 CN disclosed
EP-2748176-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES The Royal Institution for the Advancement of Learning / McGill University (CA) 2014-07-02 EP disclosed
WO-2013026142-A1 IONIC TAGS FOR SYNTHESIS OF OLIGORIBONUCLEOTIDES THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2013-02-28 WO disclosed
US-7452960-B2 Polyhydroxyalkanoate copolymer, resin composition, molded product, toner, image forming method and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2008-11-18 US disclosed
US-20060040196-A1 New polyhydroxyalkanoate copolymer, resin composition, molded product, toner, image forming method and image forming apparatus CANON KABUSHIKI KAISHA (JP) 2006-02-23 US disclosed
WO-2004041905-A1 NEW POLYHYDROXYALKANOATE COPOLYMER, RESIN COMPOSITION, MOLDED PRODUCT, TONER, IMAGE FORMING METHOD AND IMAGE FORMING APPARATUS CANON KABUSHIKI KAISHA (JP) 2004-05-21 WO disclosed
US-20020177594-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-11-28 US disclosed
US-20020103192-A1 Inhibitors of histone deacetylase ABBOTT LABORATORIES 2002-08-01 US disclosed
WO-2002046129-A2 INHIBITORS OF HISTONE DEACETYLASE ABBOTT LABORATORIES (US) 2002-06-13 WO 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-20020103192-A1 Inhibitors of histone deacetylase HDAC1, HDAC5, HDAC4 ALDH1A1 546/4885HDAC1 1/4885HDAC2 7/4885
US-20020177594-A1 Inhibitors of histone deacetylase HDAC1, HDAC11, HDAC3 ALDH1A1 302/4885HDAC1 1/4885HDAC2 4/4885

“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.