SCHEMBL18364484

SCHEMBL18364484

C=C(O)C12CC3CC(C1)CC(C(=O)O)(C3)C2

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.50
PKM P14618 1/20 0.50
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
LMNA P02545 1/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41
RBP4 P02753 1/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD11B1 P28845 2/20 0.35
POLB P06746 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HTT P42858 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
SCHEMBL14493665 0.89 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL164232 0.89 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL13589980 0.89 L3MBTL1 (0.58) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL1061966 0.87 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL5486305 0.87 L3MBTL1 (0.56) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4712251 0.87 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Hydrochloric Acid SCHEMBL4712253 0.87 L3MBTL1 (0.61) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Methacrylic Acid SCHEMBL29283555 0.84 ALDH1A1 (0.53) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
Acrylic Acid SCHEMBL29281850 0.82 PKM (0.49) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA
SCHEMBL5562998 0.81 L3MBTL1 (0.51) L3MBTL1PKMALDH1A1SMN1; SMN2LMNA

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-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-01-12 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-20170008915-A1 ACID, SOLVENT, AND THERMAL RESISTANT METAL-ORGANIC FRAMEWORKS HAO2, ASF1A, FTO L3MBTL1 2166/4885PKM 1091/4885ALDH1A1 639/4885

“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.