SCHEMBL4951996

SCHEMBL4951996

CSCC(NC(=O)C=CC(=O)O)C(=O)O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
GAA P10253 1/20 0.52
TAAR1 Q96RJ0 1/20 0.41
LMNA P02545 3/20 0.40
FOLH1 Q04609 6/20 0.37
NAALAD2 Q9Y3Q0 3/20 0.37
RIMKLA Q8IXN7 1/20 0.37
CA2 P00918 2/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL4951991 1.00 ALDH1A1 (0.52) ALDH1A1GAATAAR1LMNAFOLH1
SCHEMBL4952673 0.84 ALDH1A1 (0.47) ALDH1A1GAATAAR1LMNACA2
SCHEMBL4955501 0.84 LMNA (0.49) ALDH1A1GAALMNAFOLH1CA2
SCHEMBL4955497 0.84 LMNA (0.49) ALDH1A1GAALMNAFOLH1CA2
SCHEMBL4952677 0.84 ALDH1A1 (0.47) ALDH1A1GAATAAR1LMNACA2
SCHEMBL4955678 0.82 ALDH1A1 (0.44) ALDH1A1GAATAAR1L3MBTL1
SCHEMBL4955682 0.82 ALDH1A1 (0.44) ALDH1A1GAATAAR1L3MBTL1
SCHEMBL10935574 0.81 ALDH1A1 (0.55) ALDH1A1GAATAAR1LMNACA2
SCHEMBL11224138 0.81 ALDH1A1 (0.55) ALDH1A1GAATAAR1LMNACA2
SCHEMBL4951639 0.81 FOLH1 (0.35) ALDH1A1GAALMNAFOLH1NAALAD2

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
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
US-20040175434-A1 Antimicrobial compositions NOVUS INTERNATIONAL, INC. 2004-09-09 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 (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 ALDH1A1 679/4885GAA 319/4885TAAR1 4012/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885GAA 1395/4885TAAR1 1097/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885GAA 2335/4885TAAR1 3995/4885

“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.