SCHEMBL72837

SCHEMBL72837

[CH2]CCOc1ccc(-c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LSS P48449 1/20 0.56
LTA4H P09960 2/20 0.53
CHRNB2 P17787 1/20 0.53
CHRNB4 P30926 1/20 0.53
CHRNA3 P32297 1/20 0.53
CHRNA7 P36544 1/20 0.53
CHRNA4 P43681 1/20 0.53
HRH3 Q9Y5N1 7/20 0.51
MMP3 P08254 1/20 0.51
KCNH2 Q12809 2/20 0.50
HRH1 P35367 1/20 0.50
ALDH1A1 P00352 1/20 0.50
RECQL P46063 1/20 0.50
KCNA3 P22001 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50

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
SCHEMBL28989038 0.92 LSS (0.54) LSSLTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL8539691 0.89 LSS (0.59) LSSLTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL8536500 0.88 KCNA3 (0.58) LSSLTA4HHRH3KCNH2HRH1
SCHEMBL53853 0.86 KCNA3 (0.67) LTA4HCHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL10803113 0.86 LSS (0.64) LSSLTA4HCHRNB2CHRNB4CHRNA3
SCHEMBL16893707 0.86 HDAC1 (0.58) LSSHRH3KCNH2HRH1KCNA3
SCHEMBL5571444 0.86 HDAC1 (0.58) LSSHRH3KCNH2HRH1KCNA3
SCHEMBL6748834 0.86 HDAC1 (0.58) LSSHRH3KCNH2HRH1KCNA3
SCHEMBL16893888 0.86 HDAC1 (0.58) LSSHRH3KCNH2HRH1KCNA3
SCHEMBL6509588 0.86 HDAC1 (0.58) LSSHRH3KCNH2HRH1KCNA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2024-04-09 US claimed
CN-115216178-B Ink composition for OLED packaging and preparation method thereof 西安思摩威新材料有限公司 2023-11-28 CN claimed
CN-115216178-A Ink composition for OLED packaging and preparation method thereof 西安思摩威新材料有限公司 2022-10-21 CN claimed
CN-114957314-A Compound for film packaging, composition, packaging film and film packaging structure 吉林奥来德光电材料股份有限公司 2022-08-30 CN claimed
US-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2022-08-18 US claimed
US-6903090-B2 Such as 10-(2-ethoxyphenyl)-1,2,3,4,5,6-hexahydroazepino(4,5-b)indole; for treatment of anxiety, depression, schizophrenia, epilepsy, migraine, Alzheimers disease, sleep disorders, obesity, stress related diseases, and/or drug withdrawal PFIZER (US) 2005-06-07 US claimed
US-6828314-B2 Modulation of the activity of serotonin receptors (5-HT) to treat diseases such as anxiety, depression or obesity PFIZER 2004-12-07 US claimed
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives PHARMACIA & UPJOHN COMPANY 2003-12-04 US claimed
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2003-11-27 US claimed
EP-1319005-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
EP-1319004-A2 SUBSTITUTED AZEPINO[4,5-B]INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2003-06-18 EP claimed
US-20020107278-A1 Substituted azepino[4,5b]indole derivatives PHARMACIA & UPJOHN COMPANY 2002-08-08 US claimed
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives PHARMACIA & UPJOHN COMPANY 2002-06-20 US claimed
WO-2002024701-A2 SUBSTITUTED AZEPINO[4,5B)INDOLE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
WO-2002024700-A2 SUBSTITUTED AZEPINO[4,5b]INDOLINE DERIVATIVES PHARMACIA & UPJOHN COMPANY (US) 2002-03-28 WO claimed
EP-3998252-B1 THIOL COMPOUNDS, SYNTHESIS METHOD THEREFOR, AND UTILIZATION OF SAID THIOL COMPOUNDS SHIKOKU CHEM (JP) 2024-04-24 EP disclosed
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method JILIN OLED OPTICAL AND ELECTRONIC MATERIALS CO., LTD. (CN) 2024-04-09 US disclosed
WO-2001004118-A2 QUINUCLIDINE DERIVATIVES AND THEIR USE AS MUSCARINIC M3 RECEPTOR LIGANDS ALMIRALL PRODESFARMA S.A. (ES) 2001-01-18 WO disclosed
US-5719155-A CARDIOVASCULAR DISORDERS JAPAN TOBACCO INC. (JP) 1998-02-17 US disclosed
EP-0677519-A1 CHROMAN DERIVATIVE AND MEDICINAL USE THEREOF Japan Tobacco Inc. (JP) 1995-10-18 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 (6 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-20020107278-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E LSS 1332/4885LTA4H 1066/4885CHRNB2 201/4885
US-20220259352-A1 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method AOX1, LOXL1, SEM1 LSS 318/4885LTA4H 23/4885CHRNB2 4078/4885
US-20030225058-A1 Substituted azepino[4,5b]indoline derivatives HTR5A, HTR1A, HTR4 LSS 2026/4885LTA4H 1318/4885CHRNB2 200/4885
US-11952450-B2 Compound for encapsulation film and composition thereof, and film, organic light-emitting device and encapsulation method TTPA, LOX, AOX1 LSS 388/4885LTA4H 25/4885CHRNB2 3925/4885
US-20030220321-A1 Substituted azepino[4,5b]indole derivatives HTR5A, HTR1A, HTR1E LSS 1332/4885LTA4H 1066/4885CHRNB2 201/4885
US-20020077318-A1 Substituted azepino[4,5b] indoline derivatives HTR5A, HTR1A, HTR4 LSS 2026/4885LTA4H 1318/4885CHRNB2 200/4885

“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.