SCHEMBL19360004

SCHEMBL19360004

Cc1cc(F)c(F)c(OC(=O)c2cnc([18F])cn2)c1F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.40
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ NPC1 O15118 2/20 0.32
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ ASPH Q12797 1/20 0.31
▸ KDM8 Q8N371 1/20 0.31
▸ GABRA1 P14867 1/20 0.30
▸ GABRG2 P18507 1/20 0.30
▸ GABRB3 P28472 1/20 0.30
▸ GABRA5 P31644 1/20 0.30
▸ GABRA3 P34903 1/20 0.30
▸ GABRA2 P47869 1/20 0.30
▸ GABRA4 P48169 1/20 0.30
▸ GABRA6 Q16445 1/20 0.30

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
SCHEMBL19360825 0.91 POLB (0.37) POLBMEN1KMT2ATDP1NPC1
SCHEMBL19360023 0.91 POLB (0.37) POLBMEN1KMT2ATDP1NPC1
SCHEMBL29525770 0.91 POLB (0.37) POLBMEN1KMT2ATDP1NPC1
SCHEMBL17573509 0.81 KMT2A (0.50) POLBMEN1KMT2ATDP1NPC1
SCHEMBL15247100 0.79 KCNQ3 (0.38) KMT2AKDM4E
SCHEMBL19360007 0.77 KDM4E (0.31) KDM4E
SCHEMBL19360804 0.77 POLB (0.36) POLBMEN1KMT2ATDP1NPC1
SCHEMBL5889663 0.76 TDP1 (0.41) POLBMEN1KMT2ATDP1NPC1
SCHEMBL24339409 0.74 POLB (0.34) POLBMEN1KMT2ATDP1KDM4E
SCHEMBL19360006 0.73 KMT2A (0.36) POLBMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170267717-A1 Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer MAX-PLANCK-GESELLSCHAFT ZUR FOERDERUNG DER WISSENSCHAFTEN E.V. (DE) 2017-09-21 — — 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-20170267717-A1 Novel method for the production of 18F-labeled active esters and their application exemplified by the preparation of a PSMA-specific PET-tracer FGB, F13B, FAP POLB 358/4885MEN1 288/4885KMT2A 2206/4885

“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.

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