SCHEMBL5022004

SCHEMBL5022004

COC(=O)CNC(=O)C=C1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.46
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
NLRP3 Q96P20 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
TET2 Q6N021 1/20 0.40
RECQL P46063 1/20 0.39
KDM4E B2RXH2 4/20 0.36
CYP3A4 P08684 2/20 0.36
GAA P10253 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
RAB9A P51151 1/20 0.34
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 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
SCHEMBL5022005 0.80 MME (0.37) TSHRKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL5022003 0.77 HDAC3 (0.33)
SCHEMBL106091 0.71 TSHR (0.41) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8089816 0.71 TSHR (0.41) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL12629554 0.71 ALDH1A1 (0.36) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL8098922 0.71 TSHR (0.41) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL21017432 0.71 KDM4E (0.43) TSHRKDM4ESMN1; SMN2ALDH1A1RAB9A
SCHEMBL873013 0.69 TSHR (0.42) TSHRHSD17B10KDM4EALDH1A1HPGD
SCHEMBL7826276 0.69 TET2 (0.52) EPHX2TSHRHSD17B10NLRP3CYP1A2
SCHEMBL27901303 0.69 TET2 (0.52) EPHX2TSHRHSD17B10NLRP3CYP1A2

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-8178577-B2 Tricyclic derivatives as potent and selective histone deacetylase inhibitors SHENZHEN CHIPSCREEN BIOSCIENCES LTD. (CN) 2012-05-15 US disclosed
US-20090292001-A1 TRICYCLIC DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS CHIPSCREEN BIOSCIENCES, LTD. (CN) 2009-11-26 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-20090292001-A1 TRICYCLIC DERIVATIVES AS POTENT AND SELECTIVE HISTONE DEACETYLASE INHIBITORS HDAC1, HDAC3, HDAC10 EPHX2 2653/4885TSHR 3975/4885HSD17B10 295/4885

“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.