SCHEMBL6712899

SCHEMBL6712899

CCOC(C)OCC.O=Cc1cccc(Br)c1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.43
SLC6A19 Q695T7 1/20 0.41
HSD17B3 P37058 1/20 0.39
HTT P42858 2/20 0.38
MAPT P10636 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
LMNA P02545 1/20 0.38
HSD11B1 P28845 1/20 0.37
PKM P14618 1/20 0.37
CHRNA7 P36544 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
ALDH1A3 P47895 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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 SCHEMBL3645192 0.97 ALDH1A1 (0.59) ALDH1A1MAOAMAOBSMN1; SMN2SLC6A19
SCHEMBL10638856 0.81 TP53 (0.41) ALDH1A1MAOAMAOBMAPTNPSR1
SCHEMBL569625 0.80 LMNA (0.43) ALDH1A1MAOAMAOBSMN1; SMN2MAPT
Benzaldehyde SCHEMBL367504 0.80 ALDH1A1 (0.54) ALDH1A1MAOAMAOBLMNAALDH1A3
SCHEMBL25518732 0.79 MAOA (0.47) ALDH1A1MAOAMAOBSMN1; SMN2MAPT
SCHEMBL29391648 0.79
SCHEMBL4290 0.79
SCHEMBL17231887 0.79 ALDH1A1 (1.00) ALDH1A1MAOAMAOBSMN1; SMN2SLC6A19
SCHEMBL11216090 0.79 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HTTMAPTNPSR1
Ethylene SCHEMBL233909 0.79 TP53 (0.39) ALDH1A1MAOAMAOBMAPTNPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102140088-A New process for synthesizing 3-bromobenzaldehyde acetal WUHAN ZHENGQINHE ENVIRONMENTAL PROT TECHNOLOGY CO LTD 2011-08-03 CN claimed
EP-0289669-B1 PROCESS FOR PREPARING 3-PHENOXYBENZALDEHYDES HARDWICKE CHEMICAL COMPANY (US) 1992-04-01 EP claimed
EP-0289669-A1 Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1988-11-09 EP claimed
US-4691033-A Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1987-09-01 US claimed
EP-3615514-B1 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS INC (US) 2023-11-22 EP disclosed
EP-4173621-A1 PHARMACEUTICAL COMPOSITION, ITS USE AS A DRUG AND NEW COMPOUNDS, ESPECIALLY FOR TREATING SARS-COV-2 INFECTION Université de Bordeaux (FR) 2023-05-03 EP disclosed
US-10875875-B2 Propionic acid derivatives and methods of use thereof AVIARA PHARMACEUTICALS, INC. (US) 2020-12-29 US 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-110914242-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed
EP-3615514-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF Aviara Pharmaceuticals, Inc. (US) 2020-03-04 EP 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
WO-2018201167-A2 PROPIONIC ACID DERIVATIVES AND METHODS OF USE THEREOF AVIARA PHARMACEUTICALS, INC. (US) 2018-11-01 WO disclosed
US-6080773-A USEFUL FOR TREATMENT OF DEPRESSION, ANXIETY OR PSYCHOSIS AKZO NOBEL, N.V. (NL) 2000-06-27 US disclosed
EP-0289669-B1 PROCESS FOR PREPARING 3-PHENOXYBENZALDEHYDES HARDWICKE CHEMICAL COMPANY (US) 1992-04-01 EP disclosed
EP-0289669-A1 Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1988-11-09 EP disclosed
EP-0289669-A1 Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1988-11-09 EP disclosed
US-4691033-A Process for preparing 3-phenoxybenzaldehydes HARDWICKE CHEMICAL COMPANY (US) 1987-09-01 US 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-10875875-B2 Propionic acid derivatives and methods of use thereof ITGB3, ITGA1, ITGB5 ALDH1A1 263/4885MAOA 2912/4885MAOB 3029/4885

“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.