SCHEMBL3201023

SCHEMBL3201023

CCOC(=O)[C@@H]1O[C@H]1c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 1.00
EPHX1 P07099 1/20 0.51
CYP2C19 P33261 2/20 0.48
MEN1 O00255 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2D6 P10635 1/20 0.48
KMT2A Q03164 1/20 0.48
MAPT P10636 1/20 0.46
PKM P14618 1/20 0.46
KDM4E B2RXH2 1/20 0.45
GAA P10253 1/20 0.45
ALDH1A1 P00352 2/20 0.45
CAPN1 P07384 1/20 0.44
MDM2 Q00987 1/20 0.44
TP53 P04637 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP2C9 P11712 1/20 0.43

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
SCHEMBL8746347 1.00 TSHR (1.00) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL111475 1.00 TSHR (1.00) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL8875725 1.00 TSHR (1.00) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL14393160 1.00 TSHR (1.00) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL14365934 1.00 TSHR (1.00) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL2210689 0.88 TSHR (0.79) TSHREPHX1CYP2C19MEN1CYP1A2
Phenyl Propionic Acid SCHEMBL28865692 0.87 TSHR (0.76) TSHRALDH1A1
SCHEMBL14967814 0.87 TSHR (0.77) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL6751902 0.85 TSHR (0.74) TSHREPHX1CYP2C19MEN1CYP1A2
SCHEMBL5316941 0.85 TSHR (0.74) TSHRCYP2C19MEN1CYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117904087-A Halohydrin dehalogenase mutant and application thereof in preparation of chiral oxazolidinone 中国科学院天津工业生物技术研究所 2024-04-19 CN claimed
CN-117904087-A Halohydrin dehalogenase mutant and application thereof in preparation of chiral oxazolidinone 中国科学院天津工业生物技术研究所 2024-04-19 CN disclosed
US-20220411716-A1 Consumer Products with Improved Aesthetics INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 2022-12-29 US disclosed
EP-3970690-A2 CONSUMER PRODUCTS WITH IMPROVED AESTHETICS International Flavors & Fragrances Inc. (US) 2022-03-23 EP disclosed
US-7671238-B2 Arylamino-arylpropanolamine derivatives and methods of their use WYETH LLC (US) 2010-03-02 US disclosed
US-7638512-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-12-29 US disclosed
US-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-16 US disclosed
US-7517899-B2 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2009-04-14 US disclosed
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2009-04-09 US disclosed
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use WYETH (US) 2008-10-16 US disclosed
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use WYETH (US) 2005-10-06 US disclosed
US-5637739-A ORGANOMETALLIC CATALYSTS FOR ENANTIOSELECTIVELY EPOXIDIZING PROCHIRAL OLEFINS RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1997-06-10 US disclosed
EP-0654026-B1 ISOSERINE DERIVATIVES AND THEIR USE AS LEUKOTRIENE ANTAGONISTS LEO PHARM PROD LTD (DK) 1997-02-19 EP disclosed
EP-0643626-A4 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL. RES CORP TECHNOLOGIES INC (US) 1995-12-06 EP disclosed
EP-0643626-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1995-03-22 EP disclosed
US-5234932-A Bronchodilators, antiallergens, antiinflammatory agents LEO PHARMACEUTICAL PRODUCTS LTD. (DK) 1993-08-10 US disclosed
WO-1993003838-A1 CHIRAL CATALYSTS, CATALYTIC OXIDATION AND DISPROPORTIONATION REACTIONS, AND METHODS OF PRODUCING EPOXYCHROMANS AND TAXOL RESEARCH CORPORATION TECHNOLOGIES, INC. (US) 1993-03-04 WO disclosed
EP-0489831-A1 Substituted quinolines, their preparation and their use as lipoxygenase inhibitors and/or leukotriene antagonists LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LOVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB) (DK) 1992-06-17 EP disclosed
WO-1991003466-A1 SUBSTITUTED QUINOLINES LEO PHARMACEUTICAL PRODUCTS LTD. A/S (LØVENS KEMISKE FABRIK PRODUKTIONSAKTIESELSKAB (DK) 1991-03-21 WO 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 (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-20090099164-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT TSHR 3880/4885EPHX1 2367/4885CYP2C19 266/4885
US-20050222148-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT TSHR 3880/4885EPHX1 2367/4885CYP2C19 266/4885
US-20050222142-A1 Phenylaminopropanol derivatives and methods of their use PAH, PNMT, COMT TSHR 3880/4885EPHX1 2367/4885CYP2C19 266/4885
US-20080255102-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT TSHR 4150/4885EPHX1 2785/4885CYP2C19 317/4885
US-20090093469-A1 Phenylaminopropanol Derivatives and Methods of Their Use PAH, PNMT, COMT TSHR 3880/4885EPHX1 2367/4885CYP2C19 266/4885

“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.