SCHEMBL17118232

SCHEMBL17118232

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
KDM4E B2RXH2 1/20 0.40
KDM1A O60341 1/20 0.40
ALDH1A1 P00352 1/20 0.37
GAA P10253 1/20 0.37
AAK1 Q2M2I8 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
NFE2L2 Q16236 1/20 0.33
KMT2A Q03164 1/20 0.32
CTSL P07711 1/20 0.32
TUBB1 Q9H4B7 1/20 0.32
TRPA1 O75762 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
SCHEMBL18833346 0.90 MTNR1A (0.41) MTNR1AMTNR1BKDM4EKDM1AALDH1A1
SCHEMBL18833347 0.90 MTNR1A (0.41) MTNR1AMTNR1BKDM4EKDM1AALDH1A1
SCHEMBL5878664 0.90 MTNR1A (0.40) MTNR1AMTNR1BKDM4EKDM1AALDH1A1
SCHEMBL5877511 0.90 MTNR1A (0.40) MTNR1AMTNR1BKDM4EKDM1AALDH1A1
SCHEMBL5877507 0.90 MTNR1A (0.40) MTNR1AMTNR1BKDM4EKDM1AALDH1A1
SCHEMBL18867929 0.86 TRPA1 (0.32) KDM4EALDH1A1KMT2ATRPA1
SCHEMBL496006 0.84 NFE2L2 (0.35) KDM4ENFE2L2KMT2ATRPA1
SCHEMBL496007 0.84 NFE2L2 (0.35) KDM4ENFE2L2KMT2ATRPA1
SCHEMBL20415857 0.83 CYP1A1 (0.39) KDM4EALDH1A1
SCHEMBL17118206 0.83 KDM4E (0.36) KDM4EALDH1A1NFE2L2

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-10287220-B2 Fluorination method OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2019-05-14 US disclosed
US-20170137341-A1 FLUORINATION METHOD OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-05-18 US disclosed
WO-2015140572-A1 FLUORINATION METHOD ISIS INNOVATION LIMITED (GB) 2015-09-24 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 (2 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-10287220-B2 Fluorination method F13B, PPARG, PGC MTNR1A 2789/4885MTNR1B 1635/4885KDM4E 1511/4885
US-20170137341-A1 FLUORINATION METHOD F13B, PPARG, PGC MTNR1A 2939/4885MTNR1B 1711/4885KDM4E 1483/4885

“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.