SCHEMBL413304

SCHEMBL413304

O=C(O)CP(=O)(OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.60
CETP P11597 3/20 0.50
FOLH1 Q04609 1/20 0.48
USP2 O75604 1/20 0.47
ALDH1A1 P00352 3/20 0.46
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
LMNA P02545 1/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
AKR1B1 P15121 1/20 0.43
SRC P12931 1/20 0.43
MAOB P27338 1/20 0.42

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
SCHEMBL11307576 0.92 TSHR (0.51) TSHRCETPFOLH1USP2ALDH1A1
SCHEMBL6397781 0.84 ALDH1A1 (0.58) TSHRCETPALDH1A1LMNAMAPK1
SCHEMBL28005428 0.84 TSHR (0.55) TSHRCETPALDH1A1NPC1RAB9A
SCHEMBL51139 0.81 TSHR (0.56) TSHRCETPFOLH1ALDH1A1NPC1
SCHEMBL11508891 0.81 TSHR (0.56) TSHRCETPFOLH1USP2ALDH1A1
SCHEMBL11511859 0.80 TSHR (0.55) TSHRCETPFOLH1USP2ALDH1A1
SCHEMBL11509131 0.80 TSHR (0.55) TSHRCETPFOLH1USP2ALDH1A1
SCHEMBL4641409 0.80 TSHR (0.64) TSHRCETPFOLH1ALDH1A1NPC1
SCHEMBL417168 0.80 CETP (0.50) TSHRCETPFOLH1ALDH1A1LMNA
SCHEMBL19643001 0.80 TSHR (0.46) TSHRCETPFOLH1NPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME LLC (US) 2023-10-05 US disclosed
EP-4204441-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme LLC (US) 2023-07-05 EP disclosed
WO-2022046739-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2022-03-03 WO disclosed
US-10689430-B2 Insulin receptor partial agonists MERCK SHARP & DOHME CORP. (US) 2020-06-23 US disclosed
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2019-06-13 US disclosed
EP-3463413-A1 INSULIN RECEPTOR PARTIAL AGONISTS Merck Sharp & Dohme Corp. (US) 2019-04-10 EP disclosed
WO-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 WO disclosed
US-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2012-01-26 US disclosed
WO-2010123599-A9 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2011-02-17 WO disclosed
WO-2010123599-A2 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) 2010-10-28 WO disclosed
US-6107284-A Water-soluble derivatives of epipodophyllotoxin, process for their preparation, their use as medicinal products and their intended use in anti-cancer treatments PIERRE FABRE MEDICAMENT (FR) 2000-08-22 US disclosed
US-4151302-A Araliphatic dihalogen compounds composition and method of use MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1979-04-24 US disclosed
US-4057647-A Araliphatic dihalogen compounds and process for their preparation MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DT) 1977-11-08 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 (4 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-20120022024-A1 ANTI-BACTERIAL COMPOSITIONS AND METHODS INCLUDING TARGETING VIRULENCE FACTORS OF STAPHYLOCOCCUS AUREUS CUTA, MMP8, CLPP TSHR 4335/4885CETP 1117/4885FOLH1 3269/4885
US-20190177393-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 TSHR 27/4885CETP 2838/4885FOLH1 1266/4885
US-10689430-B2 Insulin receptor partial agonists INSR, GPR119, IRS1 TSHR 27/4885CETP 2838/4885FOLH1 1266/4885
US-20230310551-A1 INSULIN RECEPTOR PARTIAL AGONISTS INSR, GPR119, IRS1 TSHR 27/4885CETP 2838/4885FOLH1 1266/4885

“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.