SCHEMBL4874263

SCHEMBL4874263

C=CCCc1cc(C(=O)O)cc(OC)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
TDP1 Q9NUW8 2/20 0.42
LMNA P02545 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
PKM P14618 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
POLB P06746 2/20 0.36
TUBB4A P04350 1/20 0.34
TUBB P07437 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
Hydrochloric Acid SCHEMBL4880818 0.79 SMN1; SMN2 (0.37) ALDH1A1TDP1L3MBTL1TPMTALOX15
SCHEMBL2671214 0.79 KDM4E (0.47) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL28174124 0.79 KDM4E (0.53) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL20749484 0.79 KDM4E (0.53) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL668838 0.78 KDM4E (0.69) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL8235386 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL3175948 0.77 ALDH1A1 (0.45) ALDH1A1KDM4ETDP1LMNAL3MBTL1
SCHEMBL1423804 0.75 KDM4E (0.49) ALDH1A1KDM4ETDP1LMNACA12
Hydrochloric Acid SCHEMBL1424857 0.74 KDM4E (0.47) ALDH1A1KDM4ETDP1LMNACA12
SCHEMBL2526920 0.73 HCAR3 (0.49) ALDH1A1KDM4ETDP1LMNAL3MBTL1

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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors NOVARTIS AG (CH) 2008-06-05 US disclosed
EP-1851208-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS Novartis AG (CH) 2007-11-07 EP disclosed
WO-2006074950-A1 MACROCYCLIC COMPOUNDS USEFUL AS BACE INHIBITORS NOVARTIS AG (CH) 2006-07-20 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-20080132477-A1 Macrocyclic Compounds Useful as Bace Inhibitors BACE1, BACE2, APP ALDH1A1 2631/4885KDM4E 3337/4885TDP1 1020/4885

“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.