SCHEMBL4954062

SCHEMBL4954062

CCCCSC(NC(=O)c1ccccc1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
RAB9A P51151 2/20 0.49
CYP1A2 P05177 3/20 0.48
CYP3A4 P08684 3/20 0.48
CYP2C9 P11712 3/20 0.48
TSHR P16473 2/20 0.48
CYP2C19 P33261 2/20 0.48
NAAA Q02083 1/20 0.48
PRSS1 P07477 5/20 0.47
CTSG P08311 5/20 0.47
CTRB1 P17538 5/20 0.47
CMA1 P23946 5/20 0.47
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
NPC1 O15118 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
HPGD P15428 1/20 0.42
SLC1A2 P43004 1/20 0.42
CNR2 P34972 1/20 0.42

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
SCHEMBL4949447 0.91 ALDH1A1 (0.51) ALDH1A1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL21535998 0.86 HDAC3 (0.53) CNR2
SCHEMBL4951936 0.84 RAB9A (0.54) ALDH1A1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL4951769 0.80 HDAC3 (0.55) ALDH1A1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL4955545 0.79 NAAA (0.53) ALDH1A1NAAANPSR1
SCHEMBL4956315 0.76 CA2 (0.53) ALDH1A1RAB9ACYP1A2CYP3A4CYP2C9
SCHEMBL5020128 0.76 HDAC3 (0.51) RAB9APRSS1CTSGCTRB1CMA1
SCHEMBL4952672 0.76 SMN1; SMN2 (0.37) ALDH1A1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL4952857 0.76 SLC1A2 (0.50) ALDH1A1RAB9ACTRB1PPARGPPARA
SCHEMBL4951668 0.74 CYP2C9 (0.37) ALDH1A1CYP2C9NPSR1

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 679/4885RAB9A 3977/4885CYP1A2 998/4885
US-20050215623-A1 Palatability of aquaculture feed TAS2R3, TAS2R1, TAS2R20 ALDH1A1 585/4885RAB9A 2142/4885CYP1A2 2703/4885
US-20040175434-A1 Antimicrobial compositions MRPL21, FPR1, ARG1 ALDH1A1 2079/4885RAB9A 1000/4885CYP1A2 2099/4885

“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.