SCHEMBL20148862

SCHEMBL20148862

CC(=O)CCCOc1ccc(C(C)=O)cc1

nearest known ligand 0.79

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.79
GAA P10253 1/20 0.76
MAPT P10636 4/20 0.60
ALDH1A1 P00352 1/20 0.60
LMNA P02545 1/20 0.56
POLB P06746 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
MAOB P27338 3/20 0.54
HPGD P15428 3/20 0.53
KMT2A Q03164 2/20 0.53
MEN1 O00255 1/20 0.53
RAB9A P51151 1/20 0.53
HRH3 Q9Y5N1 1/20 0.52
KDM4E B2RXH2 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALOX12 P18054 1/20 0.52

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
SCHEMBL15887752 0.93 GAA (0.83) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL13851444 0.91 L3MBTL1 (0.75) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL522153 0.89 L3MBTL1 (0.61) L3MBTL1GAAMAPTALDH1A1ALOX15
SCHEMBL18868405 0.88 L3MBTL1 (1.00) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL445511 0.87 L3MBTL1 (0.76) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL9851540 0.87 TSHR (0.65) L3MBTL1GAAALDH1A1POLBALOX15
SCHEMBL7928218 0.87 L3MBTL1 (0.76) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL834525 0.86 L3MBTL1 (0.88) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL1092185 0.85 L3MBTL1 (0.85) L3MBTL1GAAMAPTALDH1A1LMNA
SCHEMBL9851566 0.84 MAPT (0.74) L3MBTL1GAAMAPTALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 US disclosed
US-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE ABBVIE STEMCENTRX LLC (US) 2018-05-17 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 (1 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-20180133337-A1 CALICHEAMICIN CONSTRUCTS AND METHODS OF USE CALD1, CALR, CLSPN L3MBTL1 4744/4885GAA 419/4885MAPT 2033/4885

“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.