SCHEMBL3391

SCHEMBL3391

O=C(OCC(O)CO)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.70
ADRB2 P07550 10/20 0.64
ADRB1 P08588 10/20 0.64
ADRB3 P13945 10/20 0.64
PRKCA P17252 1/20 0.59
TDP1 Q9NUW8 2/20 0.53
KMT2A Q03164 2/20 0.52
MAPK1 P28482 1/20 0.52
HIF1A Q16665 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A3 Q01959 1/20 0.52
LMNA P02545 2/20 0.50
MEN1 O00255 1/20 0.50
SLC1A5 Q15758 1/20 0.49
TSHR P16473 1/20 0.47
F2 P00734 1/20 0.47

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
SCHEMBL1866116 1.00 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL1866113 1.00 ALDH1A1 (0.70) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL20515564 0.98 ALDH1A1 (0.68) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL136510 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL7688676 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL28388934 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Benzoic Acid SCHEMBL9956241 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
Acetic Acid SCHEMBL28698833 0.95 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL7144537 0.91 ALDH1A1 (0.64) ALDH1A1ADRB2ADRB1ADRB3PRKCA
SCHEMBL295042 0.90 ALDH1A1 (0.78) ALDH1A1ADRB2ADRB1ADRB3PRKCA

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 1649 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240374609-A1 NITROSAMINE IMPURITY, VARENICLINE PHARMACEUTICAL COMPOSITION CAPABLE OF REDUCING GENERATION OF NITROSAMINE IMPURITIES AND PREPARATION AND USE THEREOF VIWIT PHARMACEUTICALCO LTD (CN) 2024-11-14 US claimed
EP-4389748-A2 NITROSAMINE IMPURITY, VARENICLINE PHARMACEUTICAL COMPOSITION CAPABLE OF REDUCING GENERATION OF NITROSAMINE IMPURITIES AND PREPARATION AND USE THEREOF Viwit Pharmaceutical Co., Ltd. (CN) 2024-06-26 EP claimed
US-12016917-B2 Peanut formulations and uses thereof Société des Produits Nestlé S.A. (CH) 2024-06-25 US claimed
CN-117715910-A Nitrosamine impurity, valicarb pharmaceutical composition capable of reducing nitrosamine impurity generation, and preparation and application thereof 威智医药股份有限公司 2024-03-15 CN claimed
CN-117442575-A Vanilla pharmaceutical composition and preparation and application thereof 山东威智中科药业有限公司 2024-01-26 CN claimed
US-20230139230-A1 EGG PROTEIN FORMULATIONS AND METHODS OF MANUFACTURE THEREOF AIMMUNE THERAPEUTICS, INC. 2023-05-04 US claimed
CN-115721724-A Pharmaceutical composition containing secondary amine compound and preparation and application thereof 山东威智中科药业有限公司 2023-03-03 CN claimed
CN-115721625-A Pharmaceutical composition containing mirabegron and preparation and application thereof 山东威智中科药业有限公司 2023-03-03 CN claimed
CN-115707470-A Vanillan pharmaceutical composition with low nitrosamine impurity content, and preparation method and application thereof 山东威智中科药业有限公司 2023-02-21 CN claimed
CN-115707703-A Nitrosamine compound, preparation method thereof, application of nitrosamine compound in detection of valnemulin tartrate bulk drug or preparation and detection method 山东威智中科药业有限公司 2023-02-21 CN claimed
US-8030338-B2 Method for producing 2-nitroimidazole derivative POLA PHARMA INC. (JP) 2011-10-04 US claimed
US-20110201731-A1 METHOD FOR PREPARING A THERMOPLASTIC COMPOSITE MATERIAL CONTAINING NANOTUBES PARTICULARLY CARBON NANOTUBES ARKEMA FRANCE (FR) 2011-08-18 US claimed
US-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE POLA PHARMA INC (JP) 2010-01-07 US claimed
EP-2128140-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE Pola Pharma Inc. (JP) 2009-12-02 EP claimed
US-20090257968-A1 Gels containing anionic surfactants and coupling agents WALTON RICHARD 2009-10-15 US claimed
US-20050220832-A1 Gels containing metallic soaps and coupling agents WALTON RICHARD 2005-10-06 US claimed
US-5807540-A Nail varnish composition comprising a crosslinked polyester L'OREAL (FR) 1998-09-15 US claimed
EP-0740933-B1 Nail varnish composition containing a crosslinked polyester OREAL (FR) 1997-03-26 EP claimed
US-5336692-A High-molecular-weight petrolatum, solvent and a compound both hydrophobic and hydrophilic; protective coatings for skin; moisturizers; spreadability; long-lasting MEDICIS PHARMACEUTICAL CORPORATION (US) 1994-08-09 US claimed
WO-1992000077-A1 IMPROVED OINTMENT BASE AND METHOD OF USE MEDICIS CORPORATION (US) 1992-01-09 WO claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 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-20240374609-A1 NITROSAMINE IMPURITY, VARENICLINE PHARMACEUTICAL COMPOSITION CAPABLE OF REDUCING GENERATION OF NITROSAMINE IMPURITIES AND PREPARATION AND USE THEREOF UGT2B7, CYP3A7, CYP2C9 ALDH1A1 318/4885ADRB2 109/4885ADRB1 119/4885
US-20050220832-A1 Gels containing metallic soaps and coupling agents MSN, S100P, STMN1 ALDH1A1 3458/4885ADRB2 4713/4885ADRB1 4794/4885
US-20230139230-A1 EGG PROTEIN FORMULATIONS AND METHODS OF MANUFACTURE THEREOF ALB, SON, MAX ALDH1A1 4776/4885ADRB2 4488/4885ADRB1 4571/4885
US-20090257968-A1 Gels containing anionic surfactants and coupling agents RAB5IF, ANXA4, ANXA11 ALDH1A1 4621/4885ADRB2 1825/4885ADRB1 2053/4885
US-20100004460-A1 METHOD FOR PRODUCING 2-NITROIMIDAZOLE DERIVATIVE GALK1, HOGA1, DERA ALDH1A1 519/4885ADRB2 2232/4885ADRB1 2755/4885

“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.