SCHEMBL433287

SCHEMBL433287

O=C(O)C1(C(=O)O)CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC9 Q9UKV0 1/20 0.50
HCAR2 Q8TDS4 1/20 0.47
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
AKR1C1 Q04828 1/20 0.42
TDP1 Q9NUW8 2/20 0.42
TSHR P16473 2/20 0.42
RBP4 P02753 1/20 0.40
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39

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
Biphenyl SCHEMBL27506403 0.94 HDAC9 (0.46) HDAC9HCAR2KDM1AMAOBAKR1C1
Trimethylammonium SCHEMBL27680853 0.93 HDAC9 (0.45) HDAC9HCAR2KDM1AMAOBAKR1C1
SCHEMBL687495 0.89 AKR1C1 (0.48) HDAC9HCAR2KDM1AAKR1C1TSHR
SCHEMBL30219063 0.89 AKR1C1 (0.48) HDAC9HCAR2KDM1AAKR1C1TSHR
SCHEMBL9735969 0.88 HDAC9 (0.44) HDAC9HCAR2KDM1AMAOBAKR1C1
SCHEMBL17335394 0.82 KDM1A (0.46) HDAC9HCAR2KDM1AMAOBTDP1
SCHEMBL5204567 0.81 HDAC9 (0.40) HDAC9HCAR2KDM1ATDP1
SCHEMBL7434294 0.81 SMN1; SMN2 (0.48) HDAC9
SCHEMBL6660381 0.80 PARP10 (0.43) HDAC9KDM1A
SCHEMBL30638075 0.79 THRB (0.42) HDAC9HCAR2AKR1C1TDP1THRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7032562-A None JP disclosed
CN-110337357-A The manufacturing method of thermoplastic resin membrane and thermoplastic resin membrane 富士胶片株式会社 2019-10-15 CN disclosed
EP-3164266-B1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES BV (NL) 2019-05-29 EP disclosed
US-10076888-B2 Multi-layer materials and articles made therefrom and methods of making SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-09-18 US disclosed
CN-103351583-B The polymer blend and its product for including cyclobutanediol with certain of logarithmic viscosity number and medium glass transition temperature combination 伊士曼化工公司 2018-08-28 CN disclosed
CN-108424745-A Active energy ray polymer resin composition, bonding agent, smears, laminated body and laminated body used for optical elements 东洋油墨SC控股株式会社 2018-08-21 CN disclosed
EP-2333001-B1 COMPOSITIONS OF POLYESTERS WITH A HIGH GLASS TRANSITION TEMPERATURE WHICH COMPRISE 2,2,4,4-TETRAMETHYL-1,3-CYCLOBUTANEDIOL AND CERTAIN THERMAL STABILIZERS AND ARTICLES THEREOF EASTMAN CHEM CO (US) 2018-07-25 EP disclosed
US-10017606-B2 Polyester compositions containing cyclobutanediol having a certain combination of inherent viscosity and moderate glass transition temperature and articles made therefrom EASTMAN CHEMICAL COMPANY (US) 2018-07-10 US disclosed
US-20180117871-A1 MULTI-LAYER MATERIALS AND ARTICLES MADE THEREFROM AND METHODS OF MAKING SABIC GLOBAL TECHNOLOGIES B.V. (NL) 2018-05-03 US disclosed
CN-105358584-B Active energy ray-polymerizable resin composition, adhesive, coating agent, laminate, and laminate for optical element 东洋油墨SC控股株式会社 2018-04-27 CN disclosed
US-20070105993-A1 Polyester compositions which comprise cyclobutanediol and at least one phosphorus compound EASTMAN CHEMICAL COMPANY 2007-05-10 US disclosed
WO-2007053549-A1 POLYESTER COMPOSITIONS CONTAINING CYCLOBUTANEDIOL HAVING A CERTAIN COMBINATION OF INHERENT VISCOSITY AND MODERATE GLASS TRANSITION TEMPERATURE AND ARTICLES MADE THEREFROM EASTMAN CHEMICAL COMPANY (US) 2007-05-10 WO disclosed
US-20070100125-A1 Polyester compositions comprising minimal amounts of cyclobutanediol EASTMAN CHEMICAL COMPANY 2007-05-03 US disclosed
US-20070100122-A1 Polyester compositions containing cyclobutanediol and articles made therefrom EASTMAN CHEMICAL COMPANY 2007-05-03 US disclosed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US disclosed
US-5712377-A COMPOUNDS FOR MODULATE THE IMMUNE SYSTEM, ANTITUMOR AGENTS AND VIRAL DISEASES CERBIOS-PHARMA SA (CH) 1998-01-27 US disclosed
JP-H0732562-A EASILY ADHESIVE LAMINATED POLYESTER FILM TEIJIN LTD 1995-02-03 JP disclosed
JP-H00732562-A 0001-01-01 JP 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 (1 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 HDAC9 1981/4885HCAR2 957/4885KDM1A 2484/4885

“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.