SCHEMBL5566974

SCHEMBL5566974

CCCCC(=O)c1ccc(C(C)C)cc1

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
USP5 P45974 1/20 0.66
HSD17B3 P37058 8/20 0.65
HTR7 P34969 1/20 0.62
STS P08842 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
POLB P06746 1/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 2/20 0.47
THRA P10827 1/20 0.47
THRB P10828 1/20 0.47
HPGD P15428 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL30871980 0.95 HSD17B3 (0.66) USP5HSD17B3HTR7STSL3MBTL1
SCHEMBL17281117 0.92 USP5 (0.57) USP5HSD17B3HTR7STSL3MBTL1
SCHEMBL4871741 0.90 USP5 (0.72) USP5HSD17B3HTR7L3MBTL1MEN1
SCHEMBL11464173 0.89 USP5 (0.70) USP5HSD17B3HTR7STSL3MBTL1
SCHEMBL17281116 0.87 USP5 (0.55) USP5HSD17B3HTR7STSL3MBTL1
SCHEMBL30089581 0.86 USP5 (0.85) USP5HSD17B3L3MBTL1MEN1KMT2A
SCHEMBL14522305 0.86 HSD17B3 (0.83) HSD17B3HTR7STSL3MBTL1NPC1
SCHEMBL11484918 0.86 HSD17B3 (0.61) USP5HSD17B3HTR7STSL3MBTL1
SCHEMBL28522367 0.84 HSD17B3 (0.59) USP5HSD17B3HTR7STSL3MBTL1
SCHEMBL2923903 0.84 USP5 (0.64) USP5HSD17B3HTR7L3MBTL1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1745004-B1 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2016-05-18 EP disclosed
US-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION ONCOTHERAPY SCIENCE, INC. (JP) 2012-03-08 US disclosed
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-06-03 US disclosed
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES ALBANY MOLECULAR RESEARCH, INC. (US) 2010-01-14 US disclosed
EP-1745004-A4 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECH INC (US) 2007-05-09 EP disclosed
EP-1745004-A2 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS Emisphere Technologies, Inc. (US) 2007-01-24 EP disclosed
WO-2005117854-A2 ARYL KETONE COMPOUNDS AND COMPOSITIONS FOR DELIVERING ACTIVE AGENTS EMISPHERE TECHNOLOGIES, INC. (US) 2005-12-15 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 (3 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-20120059162-A1 FUSED IMIDAZOLE DERIVATIVE HAVING TTK INHIBITORY ACTION NR0B1, GRK7, NR5A2 USP5 2098/4885HSD17B3 745/4885HTR7 919/4885
US-20100137605-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES HPD, PTMA, HAAO USP5 742/4885HSD17B3 1450/4885HTR7 511/4885
US-20100010227-A1 PROCESS FOR PRODUCTION OF PIPERIDINE DERIVATIVES DDC, HPD, ALDH7A1 USP5 757/4885HSD17B3 1990/4885HTR7 710/4885

“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.