SCHEMBL21159519

SCHEMBL21159519

O=C(OCc1ccccc1)[C@H](O)CCc1ccc(C2=CCOCC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.41
MMP12 P39900 4/20 0.41
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
MMP13 P45452 2/20 0.37
MMP2 P08253 1/20 0.37
MMP9 P14780 1/20 0.37
MMP14 P50281 1/20 0.37
FABP7 O15540 3/20 0.37
CYP2C19 P33261 2/20 0.36
FABP5 Q01469 2/20 0.36
FABP3 P05413 1/20 0.36
MAPK1 P28482 1/20 0.35
CTSC P53634 1/20 0.35
MME P08473 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
LTA4H P09960 1/20 0.34
LAP3 P28838 1/20 0.34

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
SCHEMBL18256350 0.89 LTA4H (0.40) BRD4MEN1KMT2ANPSR1FABP7
SCHEMBL23279538 0.89 LTA4H (0.40) BRD4MEN1KMT2ANPSR1FABP7
SCHEMBL19244992 0.85 PTGDR2 (0.37) BRD4MEN1KMT2ANPSR1MAPK1
SCHEMBL19088520 0.83 TDP1 (0.48) BRD4MEN1KMT2ANPSR1CYP2C19
SCHEMBL24297636 0.81 FABP7 (0.39) BRD4MEN1KMT2ANPSR1FABP7
SCHEMBL23279516 0.79 PPARG (0.41) BRD4MEN1KMT2ANPSR1FABP7
SCHEMBL5014406 0.79 ALDH1A1 (0.52) MMP12KMT2AMAPK1LTA4HLAP3
SCHEMBL5014403 0.79 ALDH1A1 (0.52) MMP12KMT2AMAPK1LTA4HLAP3
SCHEMBL7373327 0.79 ALDH1A1 (0.52) MMP12KMT2AMAPK1LTA4HLAP3
SCHEMBL21160112 0.78 MMP12 (0.39) MMP12MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018048-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2024-06-25 US disclosed
US-11382949-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2022-07-12 US disclosed
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2022-03-31 US disclosed
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2020-11-12 US disclosed
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS Boehringer Ingelheim Animal Health USA Inc. (US) 2019-10-10 US disclosed
US-10344056-B2 Anthelmintic depsipeptide compounds Boehringer Ingelheim Animal Health USA Inc. (US) 2019-07-09 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 (6 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-10344056-B2 Anthelmintic depsipeptide compounds VIP, PREP, DNPEP BRD4 1334/4885MMP12 537/4885MEN1 1735/4885
US-12018048-B2 Anthelmintic depsipeptide compounds VIP, DNPEP, DPEP1 BRD4 2833/4885MMP12 744/4885MEN1 1915/4885
US-11382949-B2 Anthelmintic depsipeptide compounds ENPP2, ROCK2, RRP12 BRD4 1857/4885MMP12 1328/4885MEN1 2930/4885
US-20220098241-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP BRD4 1334/4885MMP12 537/4885MEN1 1735/4885
US-20190307838-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS ENPP2, ROCK2, RRP12 BRD4 1857/4885MMP12 1328/4885MEN1 2930/4885
US-20200354408-A1 ANTHELMINTIC DEPSIPEPTIDE COMPOUNDS VIP, PREP, DNPEP BRD4 1728/4885MMP12 559/4885MEN1 1902/4885

“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.