SCHEMBL4626896

SCHEMBL4626896

C=Cc1ccccc1-c1ccccc1CCl

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
DPP4 P27487 1/20 0.34
TSHR P16473 2/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL29395089 0.83 ALDH1A1 (0.50) ALDH1A1TSHR
SCHEMBL15850 0.83 ALDH1A1 (0.50) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL3755399 0.81 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL8663066 0.81 ALDH1A1 (0.48) ALDH1A1TSHR
Ammonia Solution, Strong SCHEMBL11329466 0.81 ALDH1A1 (0.48) ALDH1A1TSHR
Phosphine SCHEMBL9146532 0.81 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL9635025 0.81 ALDH1A1 (0.48) ALDH1A1TSHR
SCHEMBL13782720 0.80 ALDH1A1 (0.39) ALDH1A1DPP4TSHRGABRA1GABRB2
SCHEMBL13484708 0.80 ALDH1A1 (0.39) ALDH1A1DPP4TSHRGABRA1GABRB2
SCHEMBL4516980 0.80 CSNK2A2 (0.40) ALDH1A1GABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113773222-A Refining and purifying method of 2-amino-4-acetamino anisole 山东理工大学 2021-12-10 CN disclosed
EP-1951315-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS Ilypsa, Inc. (US) 2008-08-06 EP disclosed
EP-1747003-A4 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA INC (US) 2008-01-09 EP disclosed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 US disclosed
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen ILYPSA, INC. 2007-12-20 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
US-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors ILYPSA, INC. 2007-06-14 US disclosed
WO-2007056279-A2 PHOSPHOLIPASE INHIBITORS, INCLUDING MULTI-VALENT PHOSPHOLIPASE INHIBITORS, AND USE THEREOF, INCLUDING AS LUMEN-LOCALIZED PHOSPHOLIPASE INHIBITORS ILYPSA, INC. (US) 2007-05-18 WO disclosed
EP-1747003-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN Ilypsa, Inc. (US) 2007-01-31 EP disclosed
WO-2005107766-A1 PHOSPHOLIPASE INHIBITORS LOCALIZED IN THE GASTROINTESTINAL LUMEN ILYPSA, INC. (US) 2005-11-17 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 (2 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-20070135383-A1 Phospholipase inhibitors, including multi-valent phospholipase inhibitors, and use thereof, including as lumen-localized phospholipase inhibitors PNLIP, PLA2G2E, PLA2G3 ALDH1A1 3723/4885DPP4 99/4885TSHR 3511/4885
US-20070292385-A1 Phospholipase Inhibitors Localized in the Gastrointestinal Lumen PNLIP, PLA2G2E, PLA2G4B ALDH1A1 3621/4885DPP4 190/4885TSHR 2635/4885

“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.