SCHEMBL77341

SCHEMBL77341

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

nearest known ligand 0.66

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.66
CHRNA4 P43681 2/20 0.66
ALDH1A1 P00352 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
TSHR P16473 3/20 0.52
LMNA P02545 2/20 0.52
LTA4H P09960 1/20 0.51
PTGS2 P35354 1/20 0.51
MAOB P27338 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 1/20 0.50
CHRNB4 P30926 1/20 0.49
CHRNA3 P32297 1/20 0.49
ALOX15 P16050 1/20 0.49

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
SCHEMBL5523744 0.92 CHRNB2 (0.64) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL29832812 0.92 CHRNB2 (0.64) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL9561277 0.91 CHRNB2 (0.59) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL31087898 0.90 CHRNB2 (0.62) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL5518334 0.90 CHRNB2 (0.62) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL15498199 0.90 CHRNB2 (0.73) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL31087900 0.89 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL8955653 0.89 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL31087905 0.89 CHRNB2 (0.61) CHRNB2CHRNA4ALDH1A1MEN1KMT2A
SCHEMBL16943480 0.87 CHRNB2 (0.66) CHRNB2CHRNA4ALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109880876-B Method for preparing (R) -m-nitrophenyl glycol by using bean epoxide hydrolase 江南大学 2021-03-30 CN claimed
EP-3985001-B1 PHARMACEUTICAL COMPOSITION FOR USE IN TREATING A CANCER SERVIER LAB (FR) 2026-04-29 EP disclosed
US-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE SERVIER PHARMACEUTICALS LLC (US) 2024-02-22 US disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
US-11667673-B2 Therapeutically active compounds and their methods of use SERVIER PHARMACEUTICALS LLC (US) 2023-06-06 US disclosed
EP-3985001-A1 PHARMACEUTICAL COMPOSITION USEFUL IN INHIBITING IDH1 Les Laboratoires Servier SAS (FR) 2022-04-20 EP disclosed
EP-3447052-B1 METHODS OF PREPARING NEW IDH1 INHIBITORS LES LABORATOIRES SERVIER SAS (FR) 2021-10-20 EP disclosed
US-11021515-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
US-11021515-B2 Therapeutically active compounds and their methods of use AGIOS PHARMACEUTICALS, INC. (US) 2021-06-01 US disclosed
EP-1879895-A1 ENZYME INHIBITORS Chroma Therapeutics Limited (GB) 2008-01-23 EP disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
WO-2006117549-A1 ENZYME INHIBITORS CHROMA THERAPEUTICS LTD (GB) 2006-11-09 WO disclosed
US-5273993-A Antiarthritic agents; osteoporosis A. H. ROBINS COMPANY, INCORPORATED (US) 1993-12-28 US disclosed
US-5194446-A Antiarthritic agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-16 US disclosed
US-5192785-A Sulfamates as antiglaucoma agents A. H. ROBINS COMPANY, INCORPORATED (US) 1993-03-09 US disclosed
EP-0355492-B1 REACTIVE DYES BAYER AG (DE) 1992-12-09 EP disclosed
US-5138054-A Colorfastness, photostability; red dye BAYER AKTIENGESELLSCHAFT (DE) 1992-08-11 US disclosed
US-5025031-A Aryl and aryloxyalkyl sulfamate esters useful as anticonvulsants A. H. ROBINS CO., INC. (US) 1991-06-18 US disclosed
EP-0355492-A1 Reactive dyes BAYER AG (DE) 1990-02-28 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-11021515-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A CHRNB2 3371/4885CHRNA4 4371/4885ALDH1A1 413/4885
US-20240059733-A1 THERAPEUTICALLY ACTIVE COMPOUNDS AND THEIR METHODS OF USE IDH1, IDH3B, IDH3A CHRNB2 3371/4885CHRNA4 4371/4885ALDH1A1 413/4885
US-11667673-B2 Therapeutically active compounds and their methods of use IDH1, IDH3B, IDH3A CHRNB2 3371/4885CHRNA4 4371/4885ALDH1A1 413/4885

“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.