SCHEMBL78754

SCHEMBL78754

O=[N+]([O-])c1cccc(CCO)c1

nearest known ligand 0.62

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.62
ALDH1A1 P00352 7/20 0.59
LMNA P02545 2/20 0.59
ALOX15 P16050 1/20 0.53
SIGMAR1 Q99720 1/20 0.51
TRPV1 Q8NER1 1/20 0.51
CYP1A2 P05177 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HPGD P15428 1/20 0.49
TP53 P04637 1/20 0.49
ACHE P22303 1/20 0.48
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL30409299 1.00 TSHR (0.62) TSHRALDH1A1LMNAALOX15SIGMAR1
SCHEMBL81026 0.89 TSHR (0.59) TSHRALDH1A1LMNAALOX15SIGMAR1
SCHEMBL94846 0.85 TSHR (0.67) TSHRALDH1A1LMNAALOX15TRPV1
SCHEMBL30036663 0.85 TSHR (0.67) TSHRALDH1A1LMNAALOX15TRPV1
SCHEMBL30409059 0.84 TSHR (0.53) TSHRALDH1A1LMNAALOX15SIGMAR1
SCHEMBL21647739 0.84 TSHR (0.53) TSHRALDH1A1LMNAALOX15SIGMAR1
SCHEMBL28275071 0.84 TSHR (0.61) TSHRALDH1A1LMNAALOX15TRPV1
SCHEMBL15921150 0.83 TSHR (0.65) TSHRALDH1A1LMNASIGMAR1CYP1A2
SCHEMBL7399400 0.83 TSHR (0.65) TSHRALDH1A1LMNAALOX15SIGMAR1
SCHEMBL10490768 0.83 TSHR (0.65) TSHRALDH1A1LMNAALOX15TRPV1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2486115-B1 ELECTRORHEOLOGIC FLUID COMPRISING ORGANIC SUBSTANCES THAT CAN BE DOPED AND USE THEREOF FRAUNHOFER GES FORSCHUNG (DE) 2015-05-20 EP claimed
EP-2486115-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer Gesellschaft zur Förderung der angewandten Wissenschaft E.V. (DE) 2012-08-15 EP claimed
WO-2011042117-A1 ELECTRORHEOLOGICAL FLUID COMPRISING ORGANIC DOPANTS, AND USE THEREOF Fraunhofer-Gesellschaft zur Förderung der angewandten Forschung e.V. (DE) 2011-04-14 WO claimed
US-20250188023-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2025-06-12 US disclosed
US-12258308-B2 Benzene derivative ONO PHARMACEUTICAL CO., LTD. (JP) 2025-03-25 US disclosed
WO-2024030651-A1 GPX4 INHIBITORS AND USE THEREOF SONATA THERAPEUTICS, INC. (US) 2024-02-08 WO disclosed
CN-112513011-B Benzene derivatives 小野药品工业株式会社 2023-06-16 CN disclosed
CN-114956933-A Marker containing isotope oxygen atom and preparation method and application thereof 清华大学 2022-08-30 CN disclosed
CN-111517902-B Aerobic oxidation system containing sulfinic acid, sulfonic acid or derivatives thereof and photo-oxidation promoting method thereof 清华大学 2022-06-14 CN disclosed
US-11289238-B2 Compositions for the filling of high aspect ratio vertical interconnect access (VIA) holes HERAEUS PRECIOUS METALS NORTH AMERICA CONSHOHOCKEN LLC (US) 2022-03-29 US disclosed
US-20220089532-A1 BENZENE DERIVATIVE ONO PHARMACEUTICAL CO., LTD. (JP) 2022-03-24 US disclosed
US-4801710-A Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO., INC. (US) 1989-01-31 US disclosed
US-4752621-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1988-06-21 US disclosed
US-4683234-A HYPOTENSIVE AGENTS, ANTI-ANGINA SUNTORY LIMITED (JP) 1987-07-28 US disclosed
EP-0212375-A1 Moderated reduction reactions for producing arylhydroxylamines MicroSi, Inc. (a Delaware corporation) (US) 1987-03-04 EP disclosed
US-4642378-A Arylalkyl amines useful for lowering intraocular pressure SYNTEX (U.S.A.) INC. (US) 1987-02-10 US disclosed
US-4629730-A ADMINISTERING DIALKYL OR CYCLOAKYL AMINO ETHYLANILINE DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1986-12-16 US disclosed
EP-0184473-A1 Regioselective synthesis of 9-substituted purine acyclonucleoside derivatives MERCK & CO. INC. (US) 1986-06-11 EP disclosed
EP-0180994-A2 Antihypertensive dialkyl aminoethylaniline derivatives SYNTEX (U.S.A.) INC. (US) 1986-05-14 EP disclosed
EP-0162208-A2 Novel N-substituted 3,4-dihydropyrimidine derivatives, processes for preparing them and pharmaceutical compositions SUNTORY KABUSHIKI KAISHA, also known as SUNTORY LTD. (JP) 1985-11-27 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 (3 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-12258308-B2 Benzene derivative PMP22, TMBIM6, MYT1 TSHR 4497/4885ALDH1A1 1189/4885LMNA 1367/4885
US-20250188023-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 TSHR 4501/4885ALDH1A1 1203/4885LMNA 1430/4885
US-20220089532-A1 BENZENE DERIVATIVE PMP22, TMBIM6, MYT1 TSHR 4497/4885ALDH1A1 1189/4885LMNA 1367/4885

“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.