SCHEMBL3936715

SCHEMBL3936715

C=CCCCOc1cc(C(=O)O)cc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
PLAU P00749 1/20 0.36
HTT P42858 1/20 0.35
PARP1 P09874 1/20 0.34
TSHR P16473 2/20 0.33
PLA2G2A P14555 1/20 0.33
GAA P10253 1/20 0.33
HCAR1 Q9BXC0 1/20 0.33
TPMT P51580 1/20 0.33
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
NAPRT Q6XQN6 1/20 0.32
MAPT P10636 2/20 0.32
ALOX15 P16050 1/20 0.32
HIF1A Q16665 1/20 0.32
LTB4R Q15722 1/20 0.32
ESR1 P03372 1/20 0.31
HCAR3 P49019 1/20 0.31

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
SCHEMBL2814579 0.84 TSHR (0.44) ALDH1A1L3MBTL1PLAUHTTTSHR
SCHEMBL10287469 0.81 PLA2G2A (0.49) TSHRPLA2G2A
SCHEMBL3216400 0.80 TAS1R3 (0.39) ALDH1A1PLAUPLA2G2AGAATPMT
SCHEMBL15662782 0.80 KMT2A (0.45) ALDH1A1PLAUHTTTSHRPLA2G2A
SCHEMBL20606774 0.80 PLAU (0.43) PLAUPARP1TSHRPLA2G2AHCAR1
SCHEMBL899603 0.79 MAPT (0.50) PLAUHTTTSHRPLA2G2AGAA
SCHEMBL3714048 0.78 TAS1R3 (0.40) ALDH1A1PLAUPLA2G2AHCAR1TPMT
SCHEMBL3713481 0.76 MAPK1 (0.50) L3MBTL1PLAUMAPTLTB4R
SCHEMBL12076324 0.74 MAPT (0.44) ALDH1A1L3MBTL1HTTTSHRGAA
SCHEMBL20606909 0.72 L3MBTL1 (0.54) ALDH1A1L3MBTL1PLAUMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2009-12-17 US disclosed
EP-2046761-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2009-04-15 EP disclosed
WO-2008009750-A2 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2008-01-24 WO 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-20090312370-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS BACE2, BACE1, APP ALDH1A1 3194/4885L3MBTL1 4749/4885PLAU 916/4885

“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.