SCHEMBL17250032

SCHEMBL17250032

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(-c4ccc(C#N)cc4)c(F)c3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
MMP3 P08254 5/20 0.40
MMP2 P08253 5/20 0.39
MAPT P10636 3/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
MMP1 P03956 1/20 0.37
MMP9 P14780 1/20 0.37
MMP13 P45452 1/20 0.37
HTT P42858 1/20 0.36
KDM4E B2RXH2 1/20 0.36
PSMD14 O00487 1/20 0.36
HPGD P15428 1/20 0.36
LMNA P02545 2/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
NPC1 O15118 1/20 0.36

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
SCHEMBL15834297 0.95 HDAC1 (0.41) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL18200224 0.93 HDAC1 (0.47) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL17250029 0.93 HDAC1 (0.47) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL15834357 0.90 MMP2 (0.45) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL12676172 0.90 HDAC1 (0.50) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL15834395 0.89 HRH2 (0.45) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL24599323 0.89 MMP3 (0.49) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL14130800 0.89 MMP3 (0.49) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL16425790 0.89 MMP3 (0.49) HDAC1HDAC2MMP3MMP2MAPT
SCHEMBL13871163 0.87 MMP2 (0.48) HDAC1HDAC2MMP3MMP2MAPT

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-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 US disclosed
US-20150323722-A1 REACTIVE MESOGENS MERCK PATENT GMBH (DE) 2015-11-12 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-20150323722-A1 REACTIVE MESOGENS BLM, MAFG, MCRS1 HDAC1 3643/4885HDAC2 4221/4885MMP3 1861/4885

“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.