SCHEMBL17100016

SCHEMBL17100016

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nearest known ligand 0.42

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TDP1 Q9NUW8 2/20 0.40
PDE4A P27815 1/20 0.40
USP2 O75604 1/20 0.38
SLCO1B1 Q9Y6L6 1/20 0.38
TSHR P16473 2/20 0.37
KDM4E B2RXH2 2/20 0.35
CHRM2 P08172 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM1 P11229 1/20 0.33
TBXA2R P21731 1/20 0.33
GALR3 O60755 1/20 0.32
MAPT P10636 1/20 0.32
BLM P54132 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL18880921 0.89 TDP1 (0.43) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL15267779 0.84 TDP1 (0.35) LMNAL3MBTL1TDP1PDE4ATSHR
SCHEMBL30473268 0.83 TDP1 (0.34) LMNAL3MBTL1TDP1PDE4ATSHR
SCHEMBL7681610 0.81 TDP1 (0.33) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL28404010 0.80 LMNA (0.43) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL2223103 0.80 PAX8 (0.40) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL16144869 0.80 TDP1 (0.36) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL1320767 0.80 TDP1 (0.66) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL9617278 0.80 PAX8 (0.40) LMNAL3MBTL1TDP1PDE4AUSP2
SCHEMBL1182040 0.80 PAX8 (0.40) LMNAL3MBTL1TDP1PDE4AUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10544085-B2 Oils having antibacterial activity THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2020-01-28 US disclosed
US-20180201571-A1 OILS HAVING ANTIBACTERIAL ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2018-07-19 US disclosed
US-9950986-B2 Oils having antibacterial activity THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 2018-04-24 US disclosed
US-20170050916-A1 NOVEL OILS HAVING ANTIBACTERIAL ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE 2017-02-23 US disclosed
WO-2015142736-A1 NOVEL OILS HAVING ANTIBACTERIAL ACTIVITY THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY OF AGRICULTURE (US) 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 (3 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-10544085-B2 Oils having antibacterial activity AGL, DAGLA, DAGLB LMNA 755/4885L3MBTL1 49/4885TDP1 1157/4885
US-20180201571-A1 OILS HAVING ANTIBACTERIAL ACTIVITY AGL, DAGLA, DAGLB LMNA 755/4885L3MBTL1 49/4885TDP1 1157/4885
US-20170050916-A1 NOVEL OILS HAVING ANTIBACTERIAL ACTIVITY DAGLA, DAGLB, AGL LMNA 830/4885L3MBTL1 41/4885TDP1 1030/4885

“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.