SCHEMBL4956801

SCHEMBL4956801

CCSCC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.49
TDP1 Q9NUW8 1/20 0.49
HSD17B10 Q99714 1/20 0.49
ALDH1A1 P00352 2/20 0.48
RAB9A P51151 2/20 0.48
ICMT O60725 1/20 0.47
PPARG P37231 3/20 0.47
PPARA Q07869 3/20 0.47
PPARD Q03181 2/20 0.47
HDAC3 O15379 1/20 0.47
HDAC4 P56524 1/20 0.47
HDAC1 Q13547 1/20 0.47
HDAC7 Q8WUI4 1/20 0.47
HDAC2 Q92769 1/20 0.47
HDAC10 Q969S8 1/20 0.47
HDAC11 Q96DB2 1/20 0.47
HDAC8 Q9BY41 1/20 0.47
HDAC6 Q9UBN7 1/20 0.47
HDAC9 Q9UKV0 1/20 0.47
HDAC5 Q9UQL6 1/20 0.47

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
SCHEMBL4953001 0.88 HDAC3 (0.51) LMNATDP1HSD17B10ALDH1A1RAB9A
SCHEMBL2806082 0.86 ALDH1A1 (0.50) LMNATDP1HSD17B10ALDH1A1ICMT
SCHEMBL2806085 0.86 ALDH1A1 (0.50) LMNATDP1HSD17B10ALDH1A1ICMT
SCHEMBL4951769 0.85 HDAC3 (0.55) LMNATDP1HSD17B10ALDH1A1RAB9A
SCHEMBL4954825 0.85 FNTA (0.54) LMNATDP1HSD17B10ALDH1A1RAB9A
SCHEMBL9830017 0.85 ALDH1A1 (0.53) LMNATDP1HSD17B10ALDH1A1RAB9A
SCHEMBL4955422 0.85 ALDH1A1 (0.53) LMNATDP1HSD17B10ALDH1A1RAB9A
SCHEMBL1768156 0.83 ACE (0.51) LMNATDP1HSD17B10ALDH1A1PPARG
SCHEMBL2419579 0.83 ACE (0.51) LMNATDP1HSD17B10ALDH1A1PPARG
SCHEMBL6411060 0.83 ACE (0.51) LMNATDP1HSD17B10ALDH1A1PPARG

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
US-7465471-B2 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2008-12-16 US disclosed
WO-2007147155-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-21 WO disclosed
US-20070292485-A1 POLYOL ESTER COMPOUNDS NOVUS INTERNATIONAL INC. (US) 2007-12-20 US disclosed
US-20050215623-A1 Palatability of aquaculture feed NOVUS INTERNATIONAL, INC. (US) 2005-09-29 US disclosed
EP-1531672-A2 ANTIMICROBIAL COMPOSITIONS Novus International, Inc. (US) 2005-05-25 EP disclosed
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 US disclosed
WO-2004019683-A2 ANTIMICROBIAL COMPOSITIONS NOVUS INTERNATIONAL, INC. (US) 2004-03-11 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-20070292485-A1 POLYOL ESTER COMPOUNDS PNLIP, ELOVL1, ELOVL5 LMNA 1572/4885TDP1 3303/4885HSD17B10 79/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 LMNA 4474/4885TDP1 4102/4885HSD17B10 1606/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 LMNA 2272/4885TDP1 3273/4885HSD17B10 2514/4885

“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.