SCHEMBL18100124

SCHEMBL18100124

CB(O)c1cccc(NC(=O)C(C)C)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.62
LMNA P02545 3/20 0.62
ALDH1A1 P00352 7/20 0.51
KMT2A Q03164 5/20 0.51
MEN1 O00255 4/20 0.51
MAPT P10636 3/20 0.51
RXFP1 Q9HBX9 1/20 0.51
F2R P25116 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
HTT P42858 2/20 0.49
KDM4E B2RXH2 1/20 0.49
GLA P06280 1/20 0.49
ALOX12 P18054 2/20 0.48
NPSR1 Q6W5P4 1/20 0.48
MTNR1B P49286 1/20 0.48
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
TP53 P04637 2/20 0.47
TSHR P16473 2/20 0.47
CYP1A2 P05177 1/20 0.46

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
SCHEMBL3466415 0.90 SMN1; SMN2 (0.62) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL9945928 0.83 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1KMT2AMEN1MAPT
SCHEMBL18100115 0.78 TGM2 (0.58) LMNA
SCHEMBL2735680 0.77 HSD17B10 (0.65) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL2384797 0.77 ALDH1A1 (0.65) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL11866935 0.77 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL26386086 0.77 SMN1; SMN2 (0.63) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL13391043 0.77 HSD17B10 (0.67) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL2474191 0.76 SMN1; SMN2 (0.54) SMN1; SMN2LMNAALDH1A1KMT2AMEN1
SCHEMBL25144828 0.76 SMN1; SMN2 (0.61) SMN1; SMN2LMNAALDH1A1KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2016-09-29 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-20160280827-A1 POLYMERS, HYDROGELS, AND USES THEREOF BOLA2; BOLA2B, PARG, BRAP SMN1; SMN2 3359/4885LMNA 780/4885ALDH1A1 2147/4885

“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.