SCHEMBL5878664

SCHEMBL5878664

CCOC(=O)/C(=C/c1cc(OC)c(OC)cc1F)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.40
MTNR1B P49286 3/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
LMNA P02545 4/20 0.39
HPGD P15428 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
POLB P06746 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PLIN1 O60240 1/20 0.38
PLIN5 Q00G26 1/20 0.38
ABHD5 Q8WTS1 1/20 0.38
KDM1A O60341 1/20 0.37
PKM P14618 2/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL5877511 1.00 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1MAPTKDM4E
SCHEMBL5877507 1.00 MTNR1A (0.40) MTNR1AMTNR1BALDH1A1MAPTKDM4E
SCHEMBL17118232 0.90 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4ECYP3A4
SCHEMBL18867930 0.87 MAPT (0.36) ALDH1A1MAPTKDM4ELMNAHPGD
SCHEMBL18833347 0.85 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL18833346 0.85 MTNR1A (0.41) MTNR1AMTNR1BALDH1A1KDM4ELMNA
SCHEMBL18867929 0.79 TRPA1 (0.32) ALDH1A1MAPTKDM4ELMNAKMT2A
SCHEMBL18867932 0.74 MEN1 (0.34) ALDH1A1MAPTKDM4EHPGDSMN1; SMN2
SCHEMBL496007 0.74 NFE2L2 (0.35) MAPTKDM4EPOLBMEN1KMT2A
SCHEMBL496006 0.74 NFE2L2 (0.35) MAPTKDM4EPOLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7022872-B2 Method for making fluorine labeled L-Dopa MOLECULAR TECHNOLOGIES, INC. (US) 2006-04-04 US claimed
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 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-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC MTNR1A 2939/4885MTNR1B 1711/4885ALDH1A1 905/4885

“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.