SCHEMBL3777018

SCHEMBL3777018

C=CCCCCCC(NC(C)=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GNPAT O15228 2/20 0.49
MAPT P10636 4/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
RECQL P46063 2/20 0.46
KDM4E B2RXH2 1/20 0.46
THRB P10828 1/20 0.46
ALOX15 P16050 1/20 0.46
NFKB1 P19838 1/20 0.46
PTGS2 P35354 1/20 0.46
THPO P40225 1/20 0.46
BLM P54132 1/20 0.46
ALDH1A1 P00352 4/20 0.44
SLC6A5 Q9Y345 2/20 0.44
USP2 O75604 2/20 0.43
CYP3A4 P08684 2/20 0.43
HPGD P15428 1/20 0.43
FOLH1 Q04609 1/20 0.43
ABCC4 O15439 1/20 0.43
PLA2G2C Q5R387 1/20 0.43
LMNA P02545 2/20 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
SCHEMBL865337 0.84 ALDH1A1 (0.47) MAPTSMN1; SMN2RECQLALDH1A1SLC6A5
SCHEMBL865338 0.84 ALDH1A1 (0.47) MAPTSMN1; SMN2RECQLALDH1A1SLC6A5
SCHEMBL12571476 0.84 USP2 (0.48) MAPTSMN1; SMN2RECQLALDH1A1USP2
SCHEMBL12513863 0.83 MAPT (0.46) MAPTSMN1; SMN2RECQLALDH1A1SLC6A5
SCHEMBL2894648 0.82 SLC6A5 (0.59) GNPATMAPTALDH1A1SLC6A5ABCC4
SCHEMBL2897531 0.82 SLC6A5 (0.59) GNPATMAPTALDH1A1SLC6A5ABCC4
SCHEMBL8148985 0.81 USP2 (0.46) MAPTSMN1; SMN2RECQLALDH1A1USP2
SCHEMBL13010934 0.81 USP2 (0.46) MAPTSMN1; SMN2RECQLALDH1A1USP2
SCHEMBL31370342 0.81 MAPT (0.42) GNPATMAPTSMN1; SMN2RECQLALDH1A1
SCHEMBL17400530 0.81 MAPT (0.47) GNPATMAPTSMN1; SMN2RECQLALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115708891-A Developing drug-loaded microsphere based on microfluidic technology and preparation method and application thereof 四川大学 2023-02-24 CN disclosed
US-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS PHENOMIX CORPORATION (US) 2010-12-23 US disclosed
WO-2009102876-A1 MACROCYCLIC INHIBITORS OF HEPATITIS C PROTEASE PHENOMIX CORPORATION (US) 2009-08-20 WO disclosed
US-20030181363-A1 Macrocyclic peptides active against the hepatitis C virus BOEHRINGER INGELHEIM (CANADA) LTD. (CA) 2003-09-25 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 (2 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-20100323953-A1 MACROCYCLIC HEPATITIS C PROTEASE INHIBITORS CTSC, HAVCR2, TMPRSS15 GNPAT 1558/4885MAPT 4213/4885SMN1; SMN2 4531/4885
US-20030181363-A1 Macrocyclic peptides active against the hepatitis C virus CTRL, CPN1, CTRC GNPAT 3733/4885MAPT 4716/4885SMN1; SMN2 3131/4885

“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.