SCHEMBL19688301

SCHEMBL19688301

O=C(OCCCOC(=O)c1ccncc1)c1ccncc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.59
L3MBTL1 Q9Y468 3/20 0.56
KDM4E B2RXH2 5/20 0.54
TSHR P16473 3/20 0.54
GLA P06280 1/20 0.54
RAB9A P51151 1/20 0.54
KMT2A Q03164 1/20 0.54
HSD17B10 Q99714 1/20 0.53
LMNA P02545 5/20 0.53
CYP1A2 P05177 3/20 0.50
CYP2C19 P33261 3/20 0.50
CYP2D6 P10635 2/20 0.50
SERPINE1 P05121 1/20 0.50
ESR1 P03372 1/20 0.50
MAPK1 P28482 1/20 0.50
NR1H2 P55055 1/20 0.50
RNASEL Q05823 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP3A4 P08684 2/20 0.49

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
SCHEMBL15953935 0.91 L3MBTL1 (0.59) TDP1L3MBTL1KDM4ETSHRGLA
Isonicotinic Acid Butyl Ester SCHEMBL4312059 0.89 LMNA (0.67) TDP1L3MBTL1TSHRRAB9AKMT2A
SCHEMBL18668798 0.89 TDP1 (0.56) TDP1L3MBTL1KDM4ETSHRGLA
SCHEMBL18668849 0.87 TDP1 (0.55) TDP1L3MBTL1KDM4ETSHRGLA
Isonicotinic Acid Pentyl Ester SCHEMBL1645891 0.87 LMNA (0.66) L3MBTL1TSHRRAB9AKMT2ALMNA
SCHEMBL19306154 0.86 KDM4E (0.57) TDP1L3MBTL1KDM4ETSHRGLA
SCHEMBL17641405 0.86 KDM4E (0.57) TDP1L3MBTL1KDM4ETSHRGLA
Isonicotinic Acid Octadecyl Ester SCHEMBL3128513 0.86 LMNA (0.68) L3MBTL1TSHRRAB9AKMT2ALMNA
Isonicotinic Acid Hexyl Ester SCHEMBL4951158 0.86 LMNA (0.68) L3MBTL1TSHRRAB9AKMT2ALMNA
SCHEMBL10780701 0.86 LMNA (0.68) L3MBTL1TSHRRAB9AKMT2ALMNA

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-11241014-B2 Antimicrobial coatings and methods of making and using thereof GEORGIA TECH RESEARCH CORPORATION (US) 2022-02-08 US disclosed
US-20200281205-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF NATIONAL SCIENCE FOUNDATION 2020-09-10 US disclosed
US-20180030165-A1 Polycations and Methods of Making and Using Thereof NATIONAL SCIENCE FOUNDATION 2018-02-01 US disclosed
US-20180030165-A1 Polycations and Methods of Making and Using Thereof NATIONAL SCIENCE FOUNDATION 2018-02-01 US disclosed
WO-2017210347-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF GEORGIA TECH RESEARCH CORPORATION (US) 2017-12-07 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-20200281205-A1 ANTIMICROBIAL COATINGS AND METHODS OF MAKING AND USING THEREOF MPO, LPO, CUTA TDP1 3089/4885L3MBTL1 1856/4885KDM4E 3423/4885
US-11241014-B2 Antimicrobial coatings and methods of making and using thereof MPO, LPO, CUTA TDP1 3089/4885L3MBTL1 1856/4885KDM4E 3423/4885
US-20180030165-A1 Polycations and Methods of Making and Using Thereof POLI, PARG, PCNA TDP1 429/4885L3MBTL1 438/4885KDM4E 2870/4885

“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.