SCHEMBL3596261

SCHEMBL3596261

CCCC(N)=C(C)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 4/20 0.43
HDAC1 Q13547 4/20 0.43
HDAC2 Q92769 4/20 0.43
HDAC8 Q9BY41 4/20 0.43
FFAR3 O14843 3/20 0.43
FNTA P49354 2/20 0.43
FNTB P49356 2/20 0.43
THRB P10828 1/20 0.43
PGGT1B P53609 1/20 0.43
CES2 O00748 1/20 0.39
CES1 P23141 1/20 0.39
CTSD P07339 1/20 0.37
TSHR P16473 4/20 0.36
ALDH1A1 P00352 3/20 0.35
ALOX15 P16050 3/20 0.33
AKR1B1 P15121 1/20 0.33
LMNA P02545 1/20 0.33
BLM P54132 1/20 0.33
PMP22 Q01453 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33

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
SCHEMBL1276172 1.00 HDAC3 (0.43) HDAC3HDAC1HDAC2HDAC8FFAR3
Hydrochloric Acid SCHEMBL10322255 0.98 FNTA (0.42) HDAC3HDAC1HDAC2HDAC8FFAR3
SCHEMBL5202979 0.86 FNTA (0.50) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL14324886 0.84 FNTA (0.59) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL6672085 0.84 FNTA (0.59) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL7856849 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL6667404 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL2965617 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL2965612 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BCES2
SCHEMBL6665849 0.82 FNTA (0.62) FNTAFNTBTHRBPGGT1BCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226558-B1 Chemical intermediates and methods for their preparation HAESSLE AB (SE) 1994-04-06 EP claimed
US-20190127540-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT LIQUID, AND SURFACE-TREATED ARTICLE TOKYO OHKA KOGYO CO., LTD. (JP) 2019-05-02 US disclosed
EP-3476464-A1 SURFACE TREATMENT METHOD, SURFACE TREATMENT LIQUID, AND SURFACE-TREATED ARTICLE Tokyo Ohka Kogyo Co., Ltd. (JP) 2019-05-01 EP disclosed
US-20100152209-A1 Compounds for Modulating TRPV3 Function HYDRA BIOSCIENCES INC. (US) 2010-06-17 US disclosed
EP-0421027-A1 Use of a thermosetting covering sheet for forming hard coatings on the surface of substrates SEKISUI KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1991-04-10 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 (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-20100152209-A1 Compounds for Modulating TRPV3 Function TRPV3, TRPV1, TRPV4 HDAC3 389/4885HDAC1 1840/4885HDAC2 1056/4885

“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.