SCHEMBL569625

SCHEMBL569625

CCOC(C)OCC.O=Cc1ccc(Br)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.43
ALDH1A3 P47895 4/20 0.43
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
MEN1 O00255 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
MAPK1 P28482 1/20 0.42
TYR P14679 1/20 0.42
ALDH1A1 P00352 6/20 0.40
ALDH3A1 P30838 2/20 0.40
CYP2A6 P11509 2/20 0.38
BCHE P06276 3/20 0.38
ACHE P22303 3/20 0.38
PTGS2 P35354 3/20 0.38
MAOB P27338 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
HPGD P15428 1/20 0.37
MAOA P21397 1/20 0.36

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
Ethylene SCHEMBL8532842 0.97 LMNA (0.41) LMNAALDH1A3KMT2AMAPTNPSR1
Ethylene Glycol SCHEMBL5517669 0.91 KMT2A (0.40) LMNAALDH1A3KMT2AMAPTNPSR1
Ethylene SCHEMBL6226363 0.87 LMNA (0.48) LMNAALDH1A3MAPTTYRALDH1A1
Cyclopropane SCHEMBL6228970 0.85 LMNA (0.46) LMNAALDH1A3MAPTTYRALDH1A1
SCHEMBL10736418 0.84 CYP2A6 (0.59) LMNAALDH1A3MAPTNPSR1TYR
SCHEMBL10633434 0.82 TYR (0.47) LMNAALDH1A3MAPTMAPK1TYR
4-Hydroxybenzaldehyde SCHEMBL17941268 0.82 ALDH5A1 (0.57) LMNAALDH1A3TYRALDH1A1ALDH3A1
SCHEMBL10763720 0.82 HSD17B10 (0.57) LMNAALDH1A3MAPTTYRALDH1A1
SCHEMBL7563021 0.82 LMNA (0.43) LMNAALDH1A3KMT2AMAPTNPSR1
Benzaldehyde SCHEMBL367504 0.81 ALDH1A1 (0.54) LMNAALDH1A3KMT2AMEN1TYR

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-6234690-A None JP disclosed
CN-107721811-B Side-fluorine-containing biphenyl diluent for high-birefringence liquid crystal and synthetic method thereof 陕西师范大学 2021-01-29 CN disclosed
CN-109251189-B 3-piperazinyl chalcone derivatives, pharmaceutical compositions thereof and application thereof 华东理工大学 2020-10-02 CN disclosed
CN-109251189-A 3 piperazinyl chalcone derivatives, its pharmaceutical composition and its application 华东理工大学 2019-01-22 CN disclosed
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
US-9061013-B2 Isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2015-06-23 US disclosed
EP-2688876-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS LLC (US) 2014-01-29 EP disclosed
US-20140011758-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2014-01-09 US disclosed
EP-2601190-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS AH USA 42 LLC (US) 2013-06-12 EP disclosed
US-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
EP-0898566-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION Akzo Nobel N.V. (NL) 1999-03-03 EP disclosed
WO-1997040027-A1 SUBSTITUTED BENZYLAMINES AND THEIR USE FOR THE TREATMENT OF DEPRESSION AKZO NOBEL N.V. (NL) 1997-10-30 WO disclosed
EP-0802968-A1 STABILIZATION OF LIQUID ENZYME COMPOSITIONS NOVO NORDISK A/S (DK) 1997-10-29 EP disclosed
WO-1996021716-A1 STABILIZATION OF LIQUID ENZYME COMPOSITIONS NOVO NORDISK A/S (DK) 1996-07-18 WO disclosed
JP-H06234690-A PREPARATION OF BIPHENYL DERIVATIVE HOECHST AG 1994-08-23 JP disclosed
EP-0153678-A1 Cinnamic acid derivatives, processes for the preparation thereof and pharmaceutical compositions Tanabe Seiyaku Co., Ltd. (JP) 1985-09-04 EP disclosed
US-4427682-A ANTICOAGULANTS, ANTIINFLAMMATORY, HYPOTENSIVE, OR ANTIALLERGEN AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1984-01-24 US disclosed
US-4317828-A ANTIINFLAMMATORY AGENTS, HYPOTENSIVE AGENTS ONO PHARMACEUTICAL CO., LTD. (JP) 1982-03-02 US disclosed
US-4271170-A THROMBOXANE SYNTHETASE ENZYME INHIBITOR USEFUL IN TREATING INFLAMMATION, HYPERTENSION, THROMBUS, CEREBRAL APOPLEXY, ASTHMA, AND CARDIOVASCULAR DISORDERS ONO PHARMACEUTICAL CO., LTD., (JP) 1981-06-02 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 (1 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-20140011758-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS CYP3A7, CYP2W1, CYP2A7 LMNA 2159/4885ALDH1A3 721/4885KMT2A 2517/4885

“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.