SCHEMBL3778950

SCHEMBL3778950

CC(C)(C)ONC(=O)c1ccc(CO[PH](=O)O)cc1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.47
NPC1 O15118 5/20 0.47
ALDH1A1 P00352 6/20 0.43
MAPT P10636 4/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
LMNA P02545 1/20 0.40
POLB P06746 1/20 0.40
EPHX2 P34913 2/20 0.40
NR4A2 P43354 1/20 0.40
RXRA P19793 1/20 0.40
RXRB P28702 1/20 0.40
HDAC1 Q13547 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR1H4 Q96RI1 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ESRRG P62508 1/20 0.38

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
SCHEMBL3778947 0.90 RAB9A (0.48) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL177614 0.78 EPHX2 (0.52) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL2636923 0.77 CA1 (0.37) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL4490079 0.76 MPO (0.53) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL5885636 0.75 LOXL2 (0.56) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL5819828 0.75 APP (0.49) RAB9ANPC1LMNAEPHX2NR4A2
SCHEMBL6119612 0.73 SRD5A2 (0.48) ALDH1A1MAPTEPHX2NR4A2RXRA
SCHEMBL7481751 0.73 ALDH1A1 (0.55) RAB9ANPC1ALDH1A1MAPTMAPK1
SCHEMBL9546862 0.72 MEN1 (0.65) RAB9ANPC1MAPTLMNAPOLB
SCHEMBL9402592 0.72 MLYCD (0.42) RAB9ANPC1ALDH1A1MAPTMAPK1

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
EP-2437792-B1 IMAGING OF MYELIN BASIC PROTEIN GEN ELECTRIC (US) 2015-10-21 EP disclosed
US-8617515-B2 Imaging of myelin basic protein GENERAL ELECTRIC COMPANY (US) 2013-12-31 US disclosed
US-20100310457-A1 IMAGING OF MYELIN BASIC PROTEIN GENERAL ELECTRIC COMPANY (US) 2010-12-09 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-20100310457-A1 IMAGING OF MYELIN BASIC PROTEIN MAG, PMP22, MYT1 RAB9A 1676/4885NPC1 1848/4885ALDH1A1 4822/4885

“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.