SCHEMBL570123

SCHEMBL570123

CCOC(OCC)c1ccc(F)c(Br)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 6/20 0.38
PTGS2 P35354 6/20 0.38
BCHE P06276 5/20 0.38
PARP1 P09874 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
DPP4 P27487 1/20 0.34
KDM4E B2RXH2 2/20 0.34
RXRA P19793 2/20 0.33
GRIN1 Q05586 2/20 0.33
GRIN2B Q13224 2/20 0.33
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
RPS6KB1 P23443 1/20 0.31
AKT1 P31749 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
SCHEMBL1280729 0.86 PTGS2 (0.38) ACHEPTGS2BCHEDPP4NPC1
SCHEMBL2867341 0.79 PARP1 (0.37) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL11061904 0.76 PTGS2 (0.39) ACHEPTGS2BCHEALDH1A1NPC1
SCHEMBL29520274 0.76 PTGS2 (0.39) ACHEPTGS2BCHEALDH1A1NPC1
SCHEMBL2047871 0.75 ADRB2 (0.36) ACHEPTGS2BCHE
SCHEMBL13933019 0.74 KDM4E (0.38) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL508188 0.74 PTGS2 (0.50) ACHEPTGS2BCHECYP1A2NPSR1
SCHEMBL21205740 0.74 PARP1 (0.45) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL4066734 0.73 KDM4E (0.37) PARP1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL6394314 0.73 PTGS2 (0.57) ACHEPTGS2BCHECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
EP-2601190-B1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC (US) 2018-07-04 EP disclosed
CN-103517907-B Volution isoxazolines derivative as antiparasitic 硕腾服务有限责任公司 2016-07-06 CN disclosed
EP-2683723-A1 SPIROCYCLIC ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS Zoetis LLC (US) 2014-01-15 EP disclosed
US-8466115-B2 Spirocyclic isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2013-06-18 US disclosed
US-8466115-B2 Spirocyclic isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2013-06-18 US disclosed
US-8466115-B2 Spirocyclic isoxazoline derivatives as antiparasitic agents ZOETIS LLC (US) 2013-06-18 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-8415310-B2 Isoxazoline derivatives as antiparasitic agents AH USA 42 LLC (US) 2013-04-09 US disclosed
US-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ZOETIS SERVICES LLC 2012-02-09 US disclosed
CN-1297874-A Preparation of benzaldehyde dialkyl acetal or substituted benzaldehyde dialkyl acetal SHANDONG PROV INST OF AGRICULT (CN) 2001-06-06 CN disclosed
EP-0048411-B1 PROCESS FOR PREPARING 3-BROMO-4-FLUORO-BENZALDEHYDE ACETALS, INTERMEDIATES AND THEIR PREPARATION BAYER AG (DE) 1986-11-12 EP disclosed
EP-0044139-B1 NEW CYCLOPROPANECARBOXYLATES, THEIR PRODUCTION AND A LOW FISH TOXIC INSECTICIDE AND/OR ACARICIDE CONTAINING THEM AS AN ACTIVE INGREDIENT SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1984-09-26 EP disclosed
EP-0044002-B1 PROCESS FOR PREPARING 3-BROMO-4-FLUOROBENZALDEHYDE (-ACETALS),3-BROMO- 4-FLUORO-BENZOIC ACID NITRILE AND ITS PREPARATION BAYER AG (DE) 1983-07-20 EP disclosed
US-4383949-A Preparation of 3-bromo-4-fluorobenzaldehyde and its acetals BAYER AKTIENGESELLSCHAFT (DE) 1983-05-17 US disclosed
US-4376785-A Cyclopropanecarboxylates and a low fish toxic insecticide and/or acaricide containing them SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1983-03-15 US disclosed
US-4348538-A IMINES, GLYOCYLIC ACIDS, BENZOYL CYANIDES BAYER AKTIENGESELLSCHAFT (DE) 1982-09-07 US disclosed
EP-0048411-A2 Process for preparing 3-bromo-4-fluoro-benzaldehyde acetals, intermediates and their preparation BAYER AG (DE) 1982-03-31 EP disclosed
EP-0044139-A2 New cyclopropanecarboxylates, their production and a low fish toxic insecticide and/or acaricide containing them as an active ingredient SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1982-01-20 EP 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-20120035122-A1 ISOXAZOLINE DERIVATIVES AS ANTIPARASITIC AGENTS ADORA1, CYP3A7, RDX ACHE 132/4885PTGS2 2918/4885BCHE 974/4885

“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.